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CAS No. : | 3452-97-9 | MDL No. : | MFCD00036138 |
Formula : | C9H20O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | BODRLKRKPXBDBN-UHFFFAOYSA-N |
M.W : | 144.25 | Pubchem ID : | 18938 |
Synonyms : |
|
Num. heavy atoms : | 10 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 46.28 |
TPSA : | 20.23 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.08 cm/s |
Log Po/w (iLOGP) : | 2.47 |
Log Po/w (XLOGP3) : | 2.96 |
Log Po/w (WLOGP) : | 2.44 |
Log Po/w (MLOGP) : | 2.54 |
Log Po/w (SILICOS-IT) : | 2.08 |
Consensus Log Po/w : | 2.5 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.34 |
Solubility : | 0.667 mg/ml ; 0.00462 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.05 |
Solubility : | 0.129 mg/ml ; 0.000896 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.14 |
Solubility : | 1.04 mg/ml ; 0.00721 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.81 |
Signal Word: | Danger | Class: | 9 |
Precautionary Statements: | P501-P273-P260-P270-P202-P210-P201-P264-P280-P302+P352-P370+P378-P312-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P403+P235-P405 | UN#: | 3082 |
Hazard Statements: | H302-H313-H315-H319-H360-H373-H401-H227 | Packing Group: | Ⅲ |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
74% | With formic acid; water; palladium diacetate; tricyclohexylphosphine In 1,4-dioxane at 90℃; for 6 h; Inert atmosphere; Sealed tube | General procedure: An oven-dried pressure tube containing a Teflon-coated stirring bar was charged with Pd(OAc)2 (11.2 mg, 5 molpercent), PCy3 (21 mg, 7.5 molpercent) and aldehyde(1 mmol).The tube was sealed, evacuated and backfilled with N2. 1 mL of dioxane was subsequently injected. After the mixture was stirred at room temperature for 15 min, H2O (180 mg, 10 equiv) and HCO2H (184 mg, 4 equiv) were injected and the reaction was heated to 90 oC for 18 h. After the reaction was completed, the solvent was removed under vacuo. The residues were purified by flash column chromatography on silica gel to afford 87 mg of benzyl alcohol in 81 percent yield. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Examples of organoleptic alcohols and phenols include:amyl alcohol...3-methyl-but-2-en-1-ol*3-methyl-1-pentanolcis-3-hexenol*cis-4-hexenol*3,5,5-trimethyl hexanol3,4,5,6,6-pentamethylheptan-2-ol*citronellol*geraniol*... | ||
Non-limiting examples of alcohols generated from the compounds of the present invention include primary, secondary and tertiary alcohols and phenols such as:amyl alcohol;...3-methyl-but-2-en-1-ol*;3-methyl-1-pentanol;cis-3-hexenol*;cis-4-hexenol*;3,5,5-trimethyl-hexanol;3,4,5,6,6-pentamethylheptan-2-ol*;citronellol*;geraniol*;... | ||
Examples of organoleptic monoalcohols and phenols constituting the residue R- in the compounds of formula I and generated upon cleavage are:amyl alcohol...3-methyl-but-2-en-1-ol*3-methyl-1-pentanolcis-3-hexenol*cis-4-hexenol*3,5,5-trimethyl hexanol3,4,5,6,6-pentamethylheptan-2-ol*citronellol*geraniol*... |
Compounds of formula I may generate the following alcohols and phenols:amyl alcohol...3-methyl-but-2-en-1-ol*3-methyl-1-pentanolcis-3-hexenol*cis-4-hexenol*3,5,5-trimethyl-hexanol3,4,5,6,6-pentamethylheptan-2-ol*citronellol*geraniol*... |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
78% | With sulfuric acid; hydrogen bromide; In water; at 120℃; for 5h; | Specifically, 3,5,5-trimethyl hexanol 70g and 47percent bromide bromine aqueous solutionand 84g and sulfuric acid 16g to 5 hours at 120 .Hexane was added to the obtained reaction solution, washed with water three times, and then hexane was distilled off to obtain 3,5,5-trimethyl-1-bromohexane (78 molpercent). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
100% | With 3,5,5-trimethyl hexanal; hydrogen; zinc(II) oxide; at 230℃; for 5h;Catalytic behavior; | A 100 mL flask equipped with a condenser packed at the bottom with MS4A was charged with 25.7 g of TMHOL as the starting material, 1.00 g (10 mol percent with respect to the starting material) of potassium hydroxide (KOH) (granular; guaranteed reagent from Wako Pure Chemical Industries, Ltd.; purity, ?85percent) as the base, and 2.5 g (9.9 mol percent with respect to the starting material) of TMHAL as the catalyst. Next, the mixture was reacted for 5 hours in an oil bath set to 230° C. while blowing (bubbling) 0.1 L/min of hydrogen gas (compressed hydrogen gas, from Toho Sakata Suiso KK) into the mixture under stirring. The mixture was then cooled to room temperature (about 23° C.), and the blowing of hydrogen gas was stopped. The product peak retention time was confirmed by GC to agree with the retention time for the reference material. The peak portion was then analyzed by GC-MS, and the molecular weight and degradation product pattern were confirmed to agree with those for the reference material. The reaction product obtained was the target substance 2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyl-1-octanol, and the yield was 90.5percent. As used herein, the ?yield? means the ratio of the amount of target product actually obtained to the amount of target product that can be obtained from the entire charged amount of the starting material, and is a value determined by the following formula. Yield (percent)=amount of target product (mol)/amount of starting material charged (mol)×2×100 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydroxide; tetrabutylammomium bromide; In water; | Preparation Example 2 Into a 2 liter glass flask, 317 g of <strong>[3452-97-9]3,5,5-trimethylhexanol</strong>, 216 g of 1,4-dibromobutane, 14.3 g of tetrabutylammonium bromide and 442 g of a 52percent by mass aqueous solution of sodium hydroxide were placed, and the reaction was allowed to proceed at 70° C. for 8 hours under stirring. After the reaction was completed, the reaction mixture was transferred to a separatory funnel, and the aqueous phase was removed by filtration. The remaining organic phase was washed with 500 ml of water 5 times. From the organic phase, 1,4-bis(3,5,5-trimethylhexoxy)butane was separated by distillation under a reduced pressure. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
74% | With formic acid; water; palladium diacetate; tricyclohexylphosphine; In 1,4-dioxane; at 90℃; for 6h;Inert atmosphere; Sealed tube; | General procedure: An oven-dried pressure tube containing a Teflon-coated stirring bar was charged with Pd(OAc)2 (11.2 mg, 5 molpercent), PCy3 (21 mg, 7.5 molpercent) and aldehyde(1 mmol).The tube was sealed, evacuated and backfilled with N2. 1 mL of dioxane was subsequently injected. After the mixture was stirred at room temperature for 15 min, H2O (180 mg, 10 equiv) and HCO2H (184 mg, 4 equiv) were injected and the reaction was heated to 90 oC for 18 h. After the reaction was completed, the solvent was removed under vacuo. The residues were purified by flash column chromatography on silica gel to afford 87 mg of benzyl alcohol in 81 percent yield. |
With thiophene; hydrogen;Pricat CZ 29/2T; at 300℃; under 150015.0 Torr; for 0 - 264h; | A laboratory scale hydrogenation of nonanal, which had been produced by the [HYDROFORMYLATION OF DI-ISOBUTENE,] was carried out using a microreactor containing a [10ML] sample of PRICAT CZ 29/2 (35 wtpercent copper oxide/65 wtpercent zinc oxide) catalyst. Nonanal consists predominantly (about 90percent by weight) of a single isomer, which is 3,5, 5- [TRIMETHYLHEXANAL.] The catalyst was reduced in the micro reactor at atmospheric pressure and [250 °C] in a hydrogen-containing nitrogen stream flowing at 1 I/hr. the concentration of hydrogen in the gas stream was increased from 5percent to 100percent over a period of about 10 hours. The reactor was then brought up to operating pressure (200 barg) using neat hydrogen. The reactor was then operated at 300 [°C] at a gas: oil ratio of 7923: 1, using the nonanal feed at a liquid feed rate of 15-20 [ML/HOUR] to show the performance of the catalyst before treatment with the sulphur compound. The gas: oil ratio is the hydrogen flow rate [(RM3/HR,] i. e. measured at [20 °C] and 1 atmosphere) divided by the liquid feed rate (m3/hr). 0.2 ml of thiophene was then added to the feed vessel contents (1.9 litres) and the reactor was run continuously under the same conditions until the feed had been consumed (7 days). Subsequently the reactor was run using aldehyde feed containing no thiophene. The feed and product streams were analysed using temperature-programmed capillary gas chromatography. Table 1 shows the concentration of the major components in the feed stream and in the product stream over the course of the reaction. The abbreviations used in the table are: 244 tmp: 2,4, 4-trimethyl pentane 224 tmh: 2,2, 4-trimethyl hexane aldehyde: 3,5, [5-TRIMETHYLHEXANAL] alcohol : 3,5, 5-trimethylhexanol heavies: heavy end products including dimer (C18) ester, dimer alcohol, dimer ether, trimers and other high boiling by products. Table 1 Day 244tmp 224tmh Aldehyde Alcohol Heavies (Feed) 2. 4 0. 1 85. 4 8. 5 0. 58 0 3. 3 16. 2 0. 1 75. 9 4. 66 1 3. 6 9. 1 0. 1 81. 7 7. 25 2 3. 2 2. 7 0. 2 89. 8 6. 91 3 3. 4 1. 8 0. 4 89. 8 6. 85 4 3. 0 1. 7 0. 4 90. 2 7. 07 5 2. 6 2. 3 0. 3 90. 1 7. 5 6 2. 9 2. 6 0. 3 89. 9 6. 92 7 2. 5 2. 6 0. 3 90. 1 7. 21 8 2. 7 2. 7 0. 3 89. 9 7 9 2. 2 2. 3 0. 3 92. 3 4. 38 10 2. 7 2. 5 0. 3 91. 8 3. 78 11 2. 9 2. 7 0. 3 90. 3 5. 03 There is very little unhydroformylated olefin in the crude aldehyde product used in this example. The concentration of 2,4, 4-trimethyl pentane, which would be the product of hydrogenating di-isobutene is relatively low and constant. However, the concentration of 2,2, 4-trimethyl hexane, which is at a very low level in the feed rises to over 16percent when the hydrogenation takes place over un-treated catalyst. 2,2, 4-trimethyl hexane is present as a product of the hydrogenolysis of the product alcohol. It is very noticeable that during and after treatment with thiophene, the concentration of 2,2, 4-trimethyl hexane falls to about 2.5percent with a corresponding increase in the concentration of desired product alcohol in the product stream. | |
With hydrogen;Cu/Cr/Ni catalyst; at 180℃; under 18751.9 Torr; | Example 3 Preparation of 3,5,5-trimethylhexyl Benzoate (Comparative Example) 1000 g of 2,4,4-trimethyl-1-pentene (diisobutene) from Oxeno (may be prepared as in DE 10106593.0, for example) were hydroformylated in a 2 l autoclave at 135° C. under 270 bar of synthesis gas pressure for 3 hours in the presence of an unmodified rhodium catalyst.The active catalyst was generated in situ from rhodium nonanoate (24.8percent by weight of Rh).rhodium concentration based on diisobutene was set at 20 ppm. After 3 hours the reaction was terminated and the autoclave was cooled to 20° C. The reaction discharge comprises 93.5percent by weight of 3,5,5-trimethylhexanal, 2.5percent by weight of 3,5,5-trimethylhexanol, 3.4percent by weight of residual C8 hydrocarbons, and 0.6percent by weight of high-boilers. The reaction discharge was freed from rhodium catalyst by distillation on a laboratory distillation column. The Rh-free hydroformylation discharge was then hydrogenated in the liquid phase in a fixed-bed reactor in the presence of a Cu/Cr/Ni catalyst at 180° C. and 25 bar. After hydrogenation of 3,5,5-trimethylhexanal to give the target product 3,5,5-trimethylhexanol, the hydrogenation discharge was freed from low-boilers (C8 hydrocarbons) by controlled distillation. [0071] The distillation process gave a 3,5,5-trimethylhexanol of purity above 99.5percent by weight. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
rhodium nonanoate; at 135℃; under 202520.0 Torr; for 3h; | Example 3 Preparation of 3,5,5-trimethylhexyl Benzoate (Comparative Example) 1000 g of 2,4,4-trimethyl-1-pentene (diisobutene) from Oxeno (may be prepared as in DE 10106593.0, for example) were hydroformylated in a 2 l autoclave at 135° C. under 270 bar of synthesis gas pressure for 3 hours in the presence of an unmodified rhodium catalyst.The active catalyst was generated in situ from rhodium nonanoate (24.8percent by weight of Rh).rhodium concentration based on diisobutene was set at 20 ppm. After 3 hours the reaction was terminated and the autoclave was cooled to 20° C. The reaction discharge comprises 93.5percent by weight of 3,5,5-trimethylhexanal, 2.5percent by weight of 3,5,5-trimethylhexanol, 3.4percent by weight of residual C8 hydrocarbons, and 0.6percent by weight of high-boilers. The reaction discharge was freed from rhodium catalyst by distillation on a laboratory distillation column. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With titanium (IV) butoxide;Heating / reflux; | Example 1 Preparation of isononyl Benzoate 976 g of benzoic acid (8 mol), 1728 g of <strong>[3452-97-9]isononanol</strong> from OXENO Olefinchemie GmbH (12 mol), and 0.59 g of butyl titanate (0.06percent, based on the amount of acid) are weighed into a four liter distillation flask on top of which a water separator and reflux condenser have been attached, and which has a sampling port and thermometer, and are heated to boiling under nitrogen.The water of reaction produced during the esterification process was removed sequentially.Once the acid value fell below 0.1 mg KOH/g (after about 3 hours), the mixture was first cooled below 60° C., and a 20 cm multifill column was placed on the apparatus.The pressure was then reduced to 2 mbar, and excess alcohol was first distilled off (about 120° C.).After removal of an intermediate fraction at up to 140° C. it was possible to distill over the isononyl benzoate within a range of 142 to 147° C. (at 2 mbar) measured at the head of the column.Purity >99.7percent was determined by gas chromatography. The dynamic viscosity of the product at 20° C. was 8.4 mpa*s. Example 3 Preparation of 3,5,5-trimethylhexyl Benzoate (Comparative Example) [0066] 1000 g of 2,4,4-trimethyl-1-pentene (diisobutene) from Oxeno (may be prepared as in DE 10106593.0, for example) were hydroformylated in a 2 l autoclave at 135° C. under 270 bar of synthesis gas pressure for 3 hours in the presence of an unmodified rhodium catalyst. The active catalyst was generated in situ from rhodium nonanoate (24.8percent by weight of Rh). Rhodium concentration based on diisobutene was set at 20 ppm. [0067] After 3 hours the reaction was terminated and the autoclave was cooled to 20° C. [0068] The reaction discharge comprises 93.5percent by weight of 3,5,5-trimethylhexanal, 2.5percent by weight of <strong>[3452-97-9]3,5,5-trimethylhexanol</strong>, 3.4percent by weight of residual C8 hydrocarbons, and 0.6percent by weight of high-boilers. [0069] The reaction discharge was freed from rhodium catalyst by distillation on a laboratory distillation column. [0070] The Rh-free hydroformylation discharge was then hydrogenated in the liquid phase in a fixed-bed reactor in the presence of a Cu/Cr/Ni catalyst at 180° C. and 25 bar. After hydrogenation of 3,5,5-trimethylhexanal to give the target product <strong>[3452-97-9]3,5,5-trimethylhexanol</strong>, the hydrogenation discharge was freed from low-boilers (C8 hydrocarbons) by controlled distillation. [0071] The distillation process gave a <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> of purity above 99.5percent by weight. [0072] Using a method similar to the procedure carried out under Example 1, 6 mol of the resultant <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> were reacted with 4 mol of benzoic acid and tetrabutyl titanate. [0073] Distillation gave 3,5,5-trimethylhexyl benzoate at 99.7percent purity as determined by gas chromatography. [0074] The dynamic viscosity of the product at 20° C. was 7.9 mpa*s. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
titanium(IV) isopropylate; pyrographite; In xylene; at 200℃; under 150.015 Torr; for 9h;Dean-Stark trap;Product distribution / selectivity; | [0463] When <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> was stored at room temperature (for one year), it showed a peroxide value of 0.8 meq/kg and a carbonyl value of 17.2. To the <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> was added 70 ppm of sodium borohydride, and the mixture was stirred at 80° C. for 2 hours in a nitrogen atmosphere, followed by washing with water and dehydration. Filtration gave <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> having a peroxide value of 0.4 meq/kg and a carbonyl value of 0.3. [0464] The same procedure as in Example I-3 was repeated with the exception of using the foregoing <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> and activated carbon (0.2 wt. percent based on the starting materials used) after neutralization and washing with water, whereby purified di(3,5,5-trimethylhexyl) 4-cyclohexene-1,2-dicarboxylate was produced. Then dehydration was carried out at 130° C. under a reduced pressure of 1330 Pa for 5 hours. [0465] The total acid number and kinematic viscosity of the obtained ester are shown in Table 1. The ester had a hue of 10 in terms of Hazen color number, a water content of 12 ppm, a sulfated ash content of 1 ppm, a sulfur content of less than 1 ppm, a phosphorus content of less than 1 ppm, a hydroxyl value of 1.1 mgKOH/g, a peroxide value of 0.6 meq/kg and a carbonyl value of 0.9. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
tin oxide; In xylene; at 225 - 230℃; under 150.015 Torr; for 5 - 8h;Dean-Stark trap;Product distribution / selectivity; | [0472] Purified di(3,5,5-trimethylhexyl) 1,2-cyclohexanedicarboxylate was produced by the same procedure as in Example I-7 with the exception of using <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> having a peroxide value of 0.4 meq/kg and a carbonyl value of 0.3 (the same as used in Example I-4). Subsequently dehydration was carried out at 130° C. under a reduced pressure of 1330 Pa for 5 hours. [0473] The total acid number and kinematic viscosity of the obtained ester are shown in Table 1. The ester had a hue of 10 in terms of Hazen color number, a water content of 28 ppm, a sulfated ash content of less than 1 ppm, a sulfur content of less than 1 ppm, a phosphorus content of less than 1 ppm, a hydroxyl value of 0.9 mgKOH/g, a peroxide value of 0.5 meq/kg and a carbonyl value of 0.2.; Example I-9 [0474] When <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> was stored at room temperature for one year, it showed a peroxide value of 0.8 meq/kg and a carbonyl value of 17.2. The same procedure as in Example I-8 was performed with the exception of using said <strong>[3452-97-9]3,5,5-trimethylhexanol</strong>, thereby producing purified di(3,5,5-trimethylhexyl) 1,2-cyclohexanedicarboxylate. Then dehydration was carried out at 130° C. under reduced pressure of 1330 Pa for 5 hours. [0475] The total acid number and kinematic viscosity of the obtained ester are shown in Table 1. The ester had a hue of 30 in terms of Hazen color number, a water content of 23 ppm, a sulfated ash content of 4 ppm, a sulfur content of less than 1 ppm, a phosphorus content of less than 1 ppm, a hydroxyl value of 1.2 mgKOH/g, a peroxide value of 1.0 meq/kg and a carbonyl value of 9.8.; Example I-10 [0476] When <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> was stored at room temperature for one year, it showed a peroxide value of 0.8 meq/kg and a carbonyl value of 17.2. Following the procedure of Example I-8 and using the <strong>[3452-97-9]3,5,5-trimethylhexanol</strong>, the starting materials were gradually heated to 225° C. in the presence of tin oxide catalyst (0.2 wt. percent based on the starting materials fed) in a nitrogen atmosphere. While water generated during the reaction was removed by means of water separator, the esterification reaction was conducted for 6 hours and at 225° C. under reduced pressure (20000 Pa) for 2 hours. [0477] After the reaction, excess <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> was removed by distillation at 210° C. under a reduced pressure of 1330 Pa, and the obtained liquid residue was neutralized by adding thereto 33 g of a 4percent aqueous solution of sodium hydroxide and stirring the mixture at 80° C. for 2 hours, and then washed with water until the aqueous layer became neutral to thereby give a liquid crude ester. At this point, the crude ester had a total acid number of 0.01 mgKOH/g. Subsequently, to the ester was added activated alumina ("Tomita-AD 220P" manufactured by Tomita Pharmaceutical Co., Ltd.; 0.2 wt. percent based on the starting materials fed) and activated clay ("Galleon-earth V1" manufactured by Mizusawa Industrial Chemicals Ltd.; 0.2 wt. percent based on the starting materials fed), and the mixture was stirred at 90° C. and at 1330 Pa for 1 hour and filtered, whereby 390 g of purified di(3,5,5-trimethylhexyl) 4-cyclohexene-1,2-dicarboxylate was obtained. Dehydration was carried out at 130° C. under a reduced pressure of 1330 Pa for 5 hours. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
85% | With triethylamine; In chloroform; at 0 - 20℃; for 6h; | Chloroform (300 mL) was put into an argon-substituted 2 L three-neck flask and benzoyl chloride (100 mL, 0.86 mol) was added, followed by stirring at room temperature. Subsequently, <strong>[3452-97-9]3,5,5-trimethyl-1-hexanol</strong> (225 mL, 1.3 mol) was dripped in, and, after the temperature was lowered to 0 °C with ice, triethylamine (120 mL, 0.86 mL) was dripped in and six hours of stirring was carried out as the temperature was gradually raised to room temperature. Unreacted benzoyl chloride was quenched by adding 100 mL of water, followed by rinsing with 200 mL of 0.1 N hydrochloric acid and drying with sodium sulfate; the solvent was then removed under reduced pressure. The obtained orange colored oil-like product was distilled under a reduced pressure of 0.5 mmHg to obtain a colorless oil-like compound (yield 85percent). The structure was verified using 13C NMR; 3,5,5-trimethylhexyl benzoate with the following structural formula was obtained. Fig. 2 shows the 13C NMR spectrum. The IOB value of the obtained oil component is 0.26. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydroxide; In dimethyl sulfoxide; | Example 3 Preparation of 1-Hydroxy-6-(3,5,5-trimethylhexyloxy) -pyridine-2 (1H) -one The 0.82 g (0.0050 moles) of 2,6-dichloropyridine N-oxide and 0.80 g (90percent) (0.0050 moles) of <strong>[3452-97-9]3,5,5-trimethyl-1-hexanol</strong> was reacted with 0.206 g (0.0050 moles) of ground sodium hydroxide in 8.2 ml of DMSO at 80° C. for 8.5 hours to give 2-chloro-6-(3,5,5trimethylhexyloxy)pyridine N-oxide. It was reacted with 0.600 g (0.015 moles) of ground sodium hydroxide at 80° C. for 4 hours to give 1-hydroxy-6-(3,5,5-trimethyl-hexyloxy) pyridine-2(1H)-one. After cooling, it was added 74 ml of water and was adjusted with 6N HCL to pH 3. The precipitate was filtered and washed with water to give 0.577 g (45percent). It was recrystallized from ethyl acetate and hexanes: mp 130.5°-131° C. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydroxide; | EXAMPLE 3 66.5 g (0.46 mole) of <strong>[3452-97-9]3,5,5-trimethylhexanol</strong>, 19 g (0.092 mole) of N-(3-chloro-2-methylprop-1-yl)-2,6-dimethylmorpholine, 2 g of tetrabutylammonium bisulfate and 65 g of 50percent strength aqueous sodium hydroxide solution were reacted at 50° C. for 72 hours by a procedure similar to that described in Example 2. 15 g (52.1percent of theory) of N-[3-(3,5,5-trimethylhexyloxy)-2-methylprop-1-yl)-2,6-dimethylmorpholine were obtained as a colorless liquid of boiling point 135° C./0.2 mbar and nD22 =1.4486. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
[0692] In the same manner as in Example II-15, 148 g (1 mole) of phthalic anhydride was reacted with 74 g (1 mole) of isobutanol with a peroxide value of 0.1 meq/kg and a carbonyl value of 0.1 as alcohol component 1, whereby the total acid number of the reaction mixture became 252 mgKOH/g (theoretical value: 252 mgKOH/g). [0693] Then, to the reaction mixture was added tin oxide (0.2 wt. percent based on the starting materials fed) as a catalyst, and at 220° C., 7.4 g (0.1 mole) of said isobutanol and 158.4 g (1.1 moles) of <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> with a peroxide value of 0.1 meq/kg and a carbonyl value of 0.2 as alcohol component 2 were further added dropwise. While water generated during the reaction was removed by water separator, the esterification reaction was carried out at 220° C. for about 6 hours until the total acid number of the reaction mixture became 3 mgKOH/g or less, and further continued at 220° C. and at 20000 Pa for 1 hour. [0694] After the reaction, the excess alcohols were removed by distillation at 180° C. under a reduced pressure of 1330 Pa, and the obtained liquid residue was neutralized by adding thereto 30 g of a 4percent aqueous solution of sodium hydroxide and stirring the mixture at 80° C. for 2 hours, and then washed with water until it became neutral, giving a crude ester mixture. At this point, the crude ester mixture had a total acid number of 0.01 mgKOH/g. [0695] Subsequently, to the crude ester mixture was added activated carbon ("Shirasagi M" manufactured by Sumitomo Chemical Co., Ltd.; 0.1 wt. percent based on the starting materials fed), and the mixture was stirred at 90° C. and at 1330 Pa for 1 hour and filtered, whereby 329 g of a purified ester mixture containing (isobutyl) (3,5,5-trimethylhexyl) phthalate was obtained. Dehydration was carried out at 100° C. under a reduced pressure of 1330 Pa for 6 hours. [0696] The total acid number and kinematic viscosity of the obtained ester mixture are shown in Table 6. The ester mixture had a water content of 11 ppm, a sulfated ash content of less than 1 ppm, a sulfur content of less than 1 ppm, a phosphorus content of less than 1 ppm, a hydroxyl value of 1.4 mgKOH/g, a peroxide value of 0.2 meq/kg and a carbonyl value of 0.2. The obtained ester mixture was found to be a mixture of the following esters from the gas chromatogram thereof: [0697] (1) diisobutyl phthalate [0698] (2) (isobutyl)(3,5,5-trimethylhexyl) phthalate [0699] (3) di(3,5,5-trimethylhexyl) phthalate [0700] (1)/(2)/(3)=21.9/44.2/33.9 (area percent) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
[0568] A reaction was carried out following the procedure of Example II-1 and using 152.1 g (1 mole) of 4-cyclohexene-1,2-dicarboxylic anhydride (prepared by usual Diels-Alder reaction of maleic anhydride and 1,3-butadiene) and 74 g (1 mole) of isobutanol as alcohol component 1, whereby the total acid number of the reaction mixture became 247 mgKOH/g (theoretical value: 248 mgKOH/g). [0569] Then, to the reaction mixture was added tin hydroxide (0.2 wt. % based on the starting materials fed) as a catalyst, and at 220 C., 7.4 g (0.1 mole) of isobutanol and 158.4 g (1.1 moles) of <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> as alcohol component 2 were further added dropwise. While water generated during the reaction was removed by water separator, the esterification reaction was carried out at 220 C. for about 6 hours until the total acid number of the reaction mixture became 3 mgKOH/g or less, and further continued at 220 C. and at 20000 Pa for 1 hour. [0570] After the reaction, the excess alcohols were removed by distillation at 180 C. under a reduced pressure of 1330 Pa, and the obtained liquid residue was neutralized by adding thereto 35 g of a 4% aqueous solution of sodium hydroxide and stirring the mixture at 80 C. for 2 hours, and then washed with water until it became neutral, giving a crude ester mixture. At this point, the crude ester mixture had a total acid number of 0.01 mgKOH/g. Subsequently, to the crude ester mixture was added activated carbon (?Shirasagi M? manufactured by Sumitomo Chemical Co., Ltd.; 0.1 wt. % based on the starting materials fed), and the mixture was stirred at 90 C. and at 1330 Pa for 1 hour and filtered, whereby 334 g of a purified ester mixture containing (isobutyl) (3,5,5-trimethylhexyl) 4-cyclohexene-1,2-dicarboxylate was obtained. Dehydration was carried out at 100 C. under a reduced pressure of 1330 Pa for 6 hours. [0571] The total acid number and kinematic viscosity of the obtained ester mixture are shown in Table 4. The ester mixture had a water content of 28 ppm, a sulfated ash content of 1 ppm, a sulfur content of less than 1 ppm, a phosphorus content of less than 1 ppm, a hydroxyl value of 0.7 mgKOH/g, a peroxide value of 0.9 meq/kg and a carbonyl value of 1.1. The obtained ester had a cis:trans isomer ratio of 51:49 (area %), as determined from the gas chromatogram thereof. Further, the obtained ester mixture was found to be a mixture of the following esters from the gas chromatogram thereof: [0572] (1) diisobutyl 4-cyclohexene-1,2-dicarboxylate [0573] (2) (isobutyl) (3,5,5-trimethylhexyl) 4-cyclohexene-1,2-dicarboxylate [0574] (3) di(3,5,5-trimethylhexyl) 4-cyclohexene-1,2-dicarboxylate [0575] (1)/(2)/(3)=17.9/56.1/26.0 (area % | ||
[0637] Following the procedure of Example II-12, a reaction as carried out using 152.1 g (1 mole) of 4-cyclohexene-1,2-dicarboxylic anhydride (prepared by usual Diels-Alder reaction of maleic anhydride and 1,3-butadiene), 32.6 g (0.44 mole) of isobutanol with a peroxide value of 0.1 meq/kg and a carbonyl value of 0.1 and 80.6 g (0.56 mole) of <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> with a peroxide value of 0.1 meq/kg and a carbonyl value of 0.2 as alcohol component 1, whereby the total acid number of the reaction mixture became 217 mgKOH/g (theoretical value: 214 mgKOH/g). [0638] Then, to the reaction mixture was added tin oxide (0.2 wt. % based on the starting materials fed), and at 220 C., 172.8 g (1.1 moles) of <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> with a peroxide value of 0.1 meq/kg and a carbonyl value of 0.2 as alcohol component 2 was further added dropwise. While water generated during the reaction was removed by water separator, the esterification reaction was carried out at 220 C. for about 6 hours until the total acid number of the reaction mixture became 3 mgKOH/g or less, and further continued at 220 C. and at 20000 Pa for 1 hour. [0639] After the reaction, the excess alcohols were removed by distillation at 180 C. under a reduced pressure of 1330 Pa, and the obtained liquid residue was neutralized by adding thereto 33 g of a 4% aqueous solution of sodium hydroxide and stirring the mixture at. 80 C. for 2 hours, and then washed with water until it became neutral, giving a crude ester mixture. At this point, the crude ester mixture 0.5 had a total acid number of 0.01 mgKOH/g. Subsequently, to the crude ester mixture was added activated carbon (?Shirasagi M? manufactured by Sumitomo Chemical Co., Ltd.; 0.1 wt. % based on the starting materials fed), and the mixture was stirred at 90 C. and at 1330 Pa for 1 hour and filtered, whereby 383 g of a purified ester mixture containing (isobutyl) (<strong>[3452-97-9]3,5,5-trimethylhexanol</strong>) 4-cyclohexene-1,2-dicarboxylate was obtained. Dehydration was carried out at 100 C. under a reduced pressure of 1330 Pa for 6 hours. [0640] The total acid number and kinematic viscosity of the obtained ester mixture are shown in Table 6. The ester mixture had a water content of 19 ppm, a sulfated ash content of less than 1 ppm, a sulfur content of less than 1 ppm, a phosphorus content of less than 1 ppm, a hydroxyl value of 0.7 mgKOH/g, a peroxide value of 0.2 meq/kg and a carbonyl value of 0.2., The obtained ester mixture had a cis:trans isomer ratio of 56:44 (area %), as determined from the gas chromatogram thereof. Further, the obtained ester mixture was found to be a mixture of the following esters from the gas chromatogram thereof: [0641] (1) diisobutyl 4-cyclohexene-1,2-dicarboxylate [0642] (2) (isobutyl)(3,5,5-trimethylhexyl) 4-cyclohexene-1,2-dicarboxylate [0643] (3) di(3,5,5-trimethylhexyl)4-cyclohexene-1,2-dicarboxylate [0644] (1)/(2)/(3)=2.3/28.0/69.7 (area %) | ||
[0631] The same procedure as in Example II-5 was conducted with the exception of using isobutanol with a peroxide value of 0.1 meq/kg and a carbonyl value of 0.1 as alcohol component 1, isobutanol with a peroxide value of 0.1 meq/kg and a carbonyl value of 0.1 and <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> with a peroxide value of 0.1 meq/kg and a carbonyl value of 0.2 as alcohol component 2, and tin oxide (0.2 wt. % based on the starting materials fed) as a catalyst, whereby a purified ester mixture containing (isobutyl) (3,5,5-trimethylhexyl) 4-cyclohexene-1,2-dicarboxylate was produced. Dehydration was carried out at 100 C. under a reduced pressure of 1330 Pa for 6 hours. [0632] The total acid number and kinematic viscosity of the obtained ester mixture are shown in Table 6. The ester mixture had a water content of 13 ppm, a sulfated ash content of less than 1 ppm, a sulfur content of less than 1 ppm, a phosphorus content of less than 1 ppm, a hydroxyl value of 0.4 mgKOH/g, a peroxide value of 0.2 meq/kg and a carbonyl value of 0.2. The obtained ester mixture had a cis:trans isomer ratio of 57:43 (area %), as determined from the gas chromatogram thereof. Further the obtained ester mixture was found to be a mixture of the following esters from the gas chromatogram thereof: [0633] (1) diisobutyl 4-cyclohexene-1,2-dicarboxylate [0634] (2) (isobutyl)(3,5,5-trimethylhexyl) 4-cyclohexene-1,2-dicarboxylate [0635] (3) di(3,5,5-trimethylhexyl) 4-cyclohexene-1,2-dicarboxylate [0636] (1)/(2)/(3)=18.0/52.2/29.8 (area %) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
[0676] In the same manner as in Example II-15, a reaction was carried out using 154.1 g (1 mole) of 1,2-cyclohexanedicarboxylic anhydride (prepared by hydrogenating 4-cyclohexene-1,2-dicarboxylic anhydride obtained by usual Diels-Alder reaction of maleic anhydride and 1,3-butadiene) and 74 g (1 mole) of isobutanol with a peroxide value of 0.1 meq/kg and a carbonyl value of 0.1 as alcohol component 1, whereby the total acid number of the reaction mixture became 246 mgKOH/g (theoretical value: 246 mgKOH/g). [0677] Then, to the reaction mixture was added tin oxide (0.2 wt. percent based on the starting materials fed) as a catalyst, and at 220° C., 7.4 g (0.1 mole) of said isobutanol and 158.4 g (1.1 moles) of <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> with a peroxide value of 0.1 meq/kg and a carbonyl value of 0.2 as alcohol component 2 were further added dropwise. While water generated during the reaction was removed by water separator, the esterification reaction was carried out at 220° C. for about 9 hours until the total acid number of the reaction mixture became 3 mgKOH/g or less, and further continued at 220° C. and at 20000 Pa for 1 hour. [0678] After the reaction, the excess alcohols were removed by distillation at 180° C. under a reduced pressure of 1330 Pa, and the obtained liquid residue was neutralized by adding thereto 27 g of a 4percent aqueous solution of sodium hydroxide and stirring the mixture at 80° C. for 2 hours, and then washed with water until it became neutral, giving a crude ester mixture. At this point, the crude ester mixture had a total acid number of 0.01 mgKOH/g. Subsequently, to the crude ester mixture was added activated carbon ("Shirasagi M" manufactured by Sumitomo Chemical Co., Ltd.; 0.1 wt. percent based on the starting materials fed), and the mixture was stirred at 90° C. and at 1330 Pa for 1 hour and filtered, whereby 320 g of a purified ester mixture containing (isobutyl)(3,5,5-trimethylhexyl) 1,2-cyclohexanedicarboxylate was obtained. Dehydration was carried out at 100° C. under a reduced pressure of 1330 Pa for 6 hours. The total acid number and kinematic viscosity of the obtained ester are shown in Table 6. [0679] The ester mixture had a water content of 12 ppm, a sulfated ash content of less than 1 ppm, a sulfur content of less than 1 ppm, a phosphorus content of less than 1 ppm, a hydroxyl value of 0.2 mgKOH/g, a peroxide value of 0.1 meq/kg and a carbonyl value of 0.2. The obtained ester mixture had a cis:trans isomer ratio of 38:62 (area percent), as determined from the gas chromatogram thereof. Further, the obtained ester mixture was found to be a mixture of the following esters from the gas chromatogram thereof: [0680] (1) diisobutyl 1,2-cyclohexanedicarboxylate [0681] (2) (isobutyl)(3,5,5-trimethylhexyl) 1,2-cyclohexanedicarboxylate [0682] (3) di(3,5,5-trimethylhexyl) 1,2-cyclohexanedicarboxylate [0683] (1)/(2)/(3)=21.9/44.2/33.9 (area percent) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydride; In 1,4-dioxane; mineral oil; at 80℃; for 1h; | Example 3: 2-(2H-Benzotriazol-2-yl)-4-methyl-6-(3,5,5-trimethylhexyloxymethyl)-phenol2-(2H-Benzotriazol-2-yl)-6-chloromethyl-4-methyl-phenol (7.0 g, 25.6 mmol) is partly solved in dioxane (190 mL) at 80°C. 3,5,5-Trimethyl-hexan-1-ol (124.1 g, 731 mmol) and sodium hydride (1.7 g, 42 mmol, 60percent in mineral oil) are added subsequently. The orange reaction mixture is stirred at 80°C for one hour and evaporated to dryness. The residue is dissolved in ethyl acetate and extracted with water. The organic layer is dried over sodium sulphate, filtered and evaporated to dryness. The crude product is purified by column chromatography (ethyl acetate/heptane 1 :12) to yield 4.8 g of 2-(2H-Benzotriazol-2-yl)-4-methyl-6-(3,5,5- trimethylhexyloxymethyl)-phenol. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
91% | With sulfuric acid; for 16h;Reflux; | Synthesis Example m7: (Preparation of Exemplified Compound (m-21)) 3,5,5-Trimethyl-1-hexanol (200 g) and 13 g of sulfuric acid were added to 25 g of Exemplified Compound (m-2), and the mixture was stirred for 16 hours under reflux conditions. After cooling to room temperature, the obtained solid was washed with methanol and water to obtain 32 g of Exemplified Compound (m-21.) (yield: 91percent). MS: m/z 512 (M+). 1H NMR (CDCl3): delta0.88-0.93 (9H), delta107-1.08 (3H), delta1.14-1.92 (1H), delta1.32-1.37 (1H), delta1.67-1.88 (3H), delta4.40-4.45 (2H), delta6.99-7.06 (4H), delta7.48-7.53 (2H), delta7.64-7.68 (1H), delta8.29-8.32 (1H), delta8.46-8.57 (3H), delta9.08 (1H), delta12.86 (2H). lambdamax=354 nm (EtOAc). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
188.1 g | With stannous octoate; at 100 - 190℃; for 4h;Dean-Stark; Inert atmosphere; | 3,5,5-Trimethylhexyl levulinate propylene glycol ketal (355TMH-LPK) was prepared by combining 166.1 grams of EtLPK with 190.4 grams of <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> (>85percent) in a one liter, three-neck round bottom flask equipped with stir shaft, thermocouple, Dean-Stark trap/condenser, and heating mantle. The mixture was stirred at 100° C. at 60 torr until water content was below 100 ppm by Karl Fischer titration. A nitrogen blanket was applied and 0.065 ml of tin octoate catalyst was delivered to the reaction mixture by syringe. The stirred reaction mixture was heated to 190° C. for 4 hours; displaced ethanol was collected in the trap. The same one liter round bottom flask was equipped with a stir bar, distillation head, and oil bath. The reaction mixture was fractionally distilled under reduced pressure, yielding 188.1 grams of 3,5,5-trimethylhexyl levulinate propylene glycol ketal with 88.1percent purity (by GC-FID). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
95% | With triethylamine; In 1,2-dichloro-ethane; at 0℃;Inert atmosphere; | To a stirred solution of <strong>[3452-97-9]3,5,5-trimethylhexanol</strong> (5.0 g, 34.6 mmol) in anhydrous dichloroethane (75 mL) was added triethylamine (3.85 g, 38.12 mmol). This reaction mixture was cooled to 0 C in ice bath, follwed by dropwise addition of methane sulfonyl chloride (4.36 g, 38.12 mmol) over a period of 15 min under nitrogen. The reaction mixture was stirred for overnight and quenched by the addition of water. Organic layer was washed with water (2 × 50 mL), dil. hydrochloric acid (1 × 50 mL), saturated sodium bicarbonate (1 × 50 mL), and brine solution (1 × 50 mL). The residue was dried over sodium sulphate and concentrated on a rotavapor to afford crude light brown colored liquid. After chromatographic purification, the product 3,5,5-trimethylhexyl methanesulfonate was obtained in a yield of 95%, as a colorless liquid after vacuum distillation at 130-140 C. 1H-NMR (500 MHz, CDCl3) delta 4.25 (t, J = 6.8 Hz, 2H), 3.01 (s, 3H), 1.77 (dq, J = 13.8, 6.9, 6.4 Hz, 1H), 1.67 (q, J = 8.0, 6.3 Hz, 1H), 1.57 (dq, J = 13.3, 6.6 Hz, 1H), 1.24-1.20 (m, 1H), 1.14-1.10 (m, 1H), 0.97 (d, J = 6.6 Hz, 3H), 0.90 (s, 8H), and 0.87-0.76 (m, 1H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In neat (no solvent); at 200 - 250℃; for 13h;Autoclave; Inert atmosphere; | 3,5,5 -trimethyl hexanol -1 ( Tokyo Chemical Industry Co. , Ltd. , APHA = 3)And 151g, isostearic acid ( 5,7,7- trimethyl- 2- [ 1,3,3- trimethylButyl ] octane acid 1 ( Nissan Chemical Industries, Ltd. , APHA = 8) Sten a ) 311gIn addition to the in -less -made reactor , it was allowed to react for 13 hours at 200 ~ 250 while the nitrogen flow .A result , the corresponding isononyl isostearate is an ester of the ( corresponding to formula ( 1-1 ) )To obtain a crude product 430g. The results of GC analysis , isononyl isostearate is 78.0percent , 3 ,5,5- trimethyl hexanol -1 4.1percent , isostearic acid is 17.6percent , theThe sum of the other components is 0.3percent, APHA at this point was 48 .The 101g of the crude product was purified using conventional distillation equipment . The degree of reduced pressure 0.1Pa, temperature205 was distilled the isononyl isostearate in . The resulting colorless transparent IsosuteariIsostearate is 27g, APHA was 14 . At the time of reaction in the reactor the remaining sideSlight coloring component mixed stainless steel reactor is yellow is removed , APHA 72Met. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sulfuric acid; at 110℃; for 3h; | 50.0 g (0.340 mol) of 3-cyanobenzoic acid, 107.8 g (0.747 mol) of <strong>[3452-97-9]isononyl alcohol</strong> and 1.8 g (0.018 mol) of concentrated sulfuric acid were mixed and stirred for 3 hours while dehydrating at an internal temperature of 110 ° C. After confirming that the raw material disappeared, the reaction mixture was cooled, water was added and extraction / liquid separation operation was carried out, and a 5percent aqueous solution of sodium bicarbonate was added to the obtained organic layer and liquid separation was carried out. The resulting organic layer separated was placed in a separate reaction vessel, 240 ml of methanol was added and 26.6 g (0.382 mol) of hydroxylamine hydrochloride was added. 40.2 g (0.397 mol) of triethylamine was added and the mixture was stirred at an internal temperature of 30 to 40 ° C. for 2 hours. After confirming disappearance of the raw material, the reaction solution was cooled. Next, the reaction solution was placed in a reaction vessel, 40.6 g (0.397 mol) of acetic anhydride was added while cooling, and the mixture was stirred for 30 minutes. After completion of the reaction, the reaction solution was cooled, then placed in a pressure-resistant vessel, and 3.4 g of 10percent palladium carbon catalyst and 1.7 g of water were added, and the mixture was reacted at an inner temperature of 30 ° C. under 0.3 Mpa of hydrogen pressure for 4 hours. The catalyst was separated by filtration and washed with 150 ml of methanol to obtain the desired methanol solution. |
Tags: 3452-97-9 synthesis path| 3452-97-9 SDS| 3452-97-9 COA| 3452-97-9 purity| 3452-97-9 application| 3452-97-9 NMR| 3452-97-9 COA| 3452-97-9 structure
[ 826-45-9 ]
Bicyclo[2.2.2]octane-1,4-diyldimethanol
Similarity: 0.86
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P407 | Maintain air gap between stacks/pallets. |
P410 | Protect from sunlight. |
P411 | |
P412 | Do not expose to temperatures exceeding 50 oC/ 122 oF. |
P413 | |
P420 | Store away from other materials. |
P422 | |
P402 + P404 | Store in a dry place. Store in a closed container. |
P403 + P233 | Store in a well-ventilated place. Keep container tightly closed. |
P403 + P235 | Store in a well-ventilated place. Keep cool. |
P410 + P403 | Protect from sunlight. Store in a well-ventilated place. |
P410 + P412 | Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF. |
P411 + P235 | Keep cool. |
Disposal | |
Code | Phrase |
P501 | Dispose of contents/container to ... |
P502 | Refer to manufacturer/supplier for information on recovery/recycling |
Physical hazards | |
Code | Phrase |
H200 | Unstable explosive |
H201 | Explosive; mass explosion hazard |
H202 | Explosive; severe projection hazard |
H203 | Explosive; fire, blast or projection hazard |
H204 | Fire or projection hazard |
H205 | May mass explode in fire |
H220 | Extremely flammable gas |
H221 | Flammable gas |
H222 | Extremely flammable aerosol |
H223 | Flammable aerosol |
H224 | Extremely flammable liquid and vapour |
H225 | Highly flammable liquid and vapour |
H226 | Flammable liquid and vapour |
H227 | Combustible liquid |
H228 | Flammable solid |
H229 | Pressurized container: may burst if heated |
H230 | May react explosively even in the absence of air |
H231 | May react explosively even in the absence of air at elevated pressure and/or temperature |
H240 | Heating may cause an explosion |
H241 | Heating may cause a fire or explosion |
H242 | Heating may cause a fire |
H250 | Catches fire spontaneously if exposed to air |
H251 | Self-heating; may catch fire |
H252 | Self-heating in large quantities; may catch fire |
H260 | In contact with water releases flammable gases which may ignite spontaneously |
H261 | In contact with water releases flammable gas |
H270 | May cause or intensify fire; oxidizer |
H271 | May cause fire or explosion; strong oxidizer |
H272 | May intensify fire; oxidizer |
H280 | Contains gas under pressure; may explode if heated |
H281 | Contains refrigerated gas; may cause cryogenic burns or injury |
H290 | May be corrosive to metals |
Health hazards | |
Code | Phrase |
H300 | Fatal if swallowed |
H301 | Toxic if swallowed |
H302 | Harmful if swallowed |
H303 | May be harmful if swallowed |
H304 | May be fatal if swallowed and enters airways |
H305 | May be harmful if swallowed and enters airways |
H310 | Fatal in contact with skin |
H311 | Toxic in contact with skin |
H312 | Harmful in contact with skin |
H313 | May be harmful in contact with skin |
H314 | Causes severe skin burns and eye damage |
H315 | Causes skin irritation |
H316 | Causes mild skin irritation |
H317 | May cause an allergic skin reaction |
H318 | Causes serious eye damage |
H319 | Causes serious eye irritation |
H320 | Causes eye irritation |
H330 | Fatal if inhaled |
H331 | Toxic if inhaled |
H332 | Harmful if inhaled |
H333 | May be harmful if inhaled |
H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled |
H335 | May cause respiratory irritation |
H336 | May cause drowsiness or dizziness |
H340 | May cause genetic defects |
H341 | Suspected of causing genetic defects |
H350 | May cause cancer |
H351 | Suspected of causing cancer |
H360 | May damage fertility or the unborn child |
H361 | Suspected of damaging fertility or the unborn child |
H361d | Suspected of damaging the unborn child |
H362 | May cause harm to breast-fed children |
H370 | Causes damage to organs |
H371 | May cause damage to organs |
H372 | Causes damage to organs through prolonged or repeated exposure |
H373 | May cause damage to organs through prolonged or repeated exposure |
Environmental hazards | |
Code | Phrase |
H400 | Very toxic to aquatic life |
H401 | Toxic to aquatic life |
H402 | Harmful to aquatic life |
H410 | Very toxic to aquatic life with long-lasting effects |
H411 | Toxic to aquatic life with long-lasting effects |
H412 | Harmful to aquatic life with long-lasting effects |
H413 | May cause long-lasting harmful effects to aquatic life |
H420 | Harms public health and the environment by destroying ozone in the upper atmosphere |
Sorry,this product has been discontinued.
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