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Structure of Tetrahydro-4H-pyran-4-one
CAS No.: 29943-42-8
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The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
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CAS No. : | 29943-42-8 |
Formula : | C5H8O2 |
M.W : | 100.12 |
SMILES Code : | O=C1CCOCC1 |
MDL No. : | MFCD00006581 |
InChI Key : | JMJRYTGVHCAYCT-UHFFFAOYSA-N |
Pubchem ID : | 121599 |
GHS Pictogram: |
![]() |
Signal Word: | Danger |
Hazard Statements: | H225 |
Precautionary Statements: | P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235 |
Class: | 3 |
UN#: | 1224 |
Packing Group: | Ⅲ |
Num. heavy atoms | 7 |
Num. arom. heavy atoms | 0 |
Fraction Csp3 | 0.8 |
Num. rotatable bonds | 0 |
Num. H-bond acceptors | 2.0 |
Num. H-bond donors | 0.0 |
Molar Refractivity | 25.32 |
TPSA ? Topological Polar Surface Area: Calculated from |
26.3 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
1.28 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
-0.47 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
0.37 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
-0.31 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
1.64 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
0.5 |
Log S (ESOL):? ESOL: Topological method implemented from |
-0.16 |
Solubility | 68.5 mg/ml ; 0.685 mol/l |
Class? Solubility class: Log S scale |
Very soluble |
Log S (Ali)? Ali: Topological method implemented from |
0.38 |
Solubility | 243.0 mg/ml ; 2.42 mol/l |
Class? Solubility class: Log S scale |
Highly soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
-0.82 |
Solubility | 15.2 mg/ml ; 0.152 mol/l |
Class? Solubility class: Log S scale |
Soluble |
GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg |
High |
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg |
No |
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) |
No |
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) |
No |
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) |
No |
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) |
No |
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) |
No |
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) |
No |
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from |
-7.24 cm/s |
Lipinski? Lipinski (Pfizer) filter: implemented from |
0.0 |
Ghose? Ghose filter: implemented from |
None |
Veber? Veber (GSK) filter: implemented from |
0.0 |
Egan? Egan (Pharmacia) filter: implemented from |
0.0 |
Muegge? Muegge (Bayer) filter: implemented from |
1.0 |
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat |
0.55 |
PAINS? Pan Assay Interference Structures: implemented from |
0.0 alert |
Brenk? Structural Alert: implemented from |
0.0 alert: heavy_metal |
Leadlikeness? Leadlikeness: implemented from |
No; 1 violation:MW<1.0 |
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) |
1.33 |
* 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 |
---|---|---|
75% | With N-Bromosuccinimide; 1,8-diazabicyclo[5.4.0]undec-7-ene; toluene-4-sulfonic acid hydrazide In ethanol; dichloromethaneReflux | Step one: the tetrahydropyran-4-one (10.0 g, 0 . 1mol), paratoluene [...] (18.6 g, 0 . 1mol) and ethanol 120 ml after mixing, heating reflux reaction, after the reaction to evaporate the solvent, directly adding DBU (22.8 g, 0 . 15mol) and dichloromethane 150 ml in, then dropwise NBS (26.7 g, 0 . 15mol) dissolved in 40 ml of methylene chloride solution, after the reaction is complete, by adding 10percent hydrochloric acid to adjust PH= 4-5, separating the organic layer, evaporating the solvent at normal pressure, by adding 20 ml of sulfolane, vacuum distillation to obtain 12.2 g pale yellow liquid: 3,6-dihydro -2H-pyran-4-bromo, GC: 98.4percent, yield 75percent; |
62% | With triphenyl phosphite; bromine; triethylamine In dichloromethane | Step 2: 4-Bromo-3,6-dihydro-2H-pyran 4.79 g (30.0 mmol) of bromine were added dropwise to a solution of 8.52 g (27.5 mmol) of triphenyl phosphite in 78 ml of anhydrous methylene chloride at -60° C. After addition of 4.5 ml (32.5 mmol) of triethylamine, a solution of 2.5 g (25.0 mmol) of tetrahydro-4H-pyran-4-one in 2 ml of methylene chloride was added dropwise. The reaction mixture was allowed to warm slowly (over approx. 5 h) to RT and stirring was continued at RT for a further approx. 10 h. All the volatile constituents were then removed on a rotary evaporator and the residue obtained was chromatographed coarsely by filtration with suction over approx. 100 g of silica gel with methylene chloride as the mobile phase. After renewed evaporation of the solvent, the product was isolated by means of bulb tube distillation (pressure: 8 mbar; temperature: to 120° C.). 2.51 g (62percent of th.) of the title compound were obtained. 1H-NMR (400 MHz, CDCl3, δ/ppm): 6.07 (m, 1H), 4.13 (m, 2H), 3.83 (m, 2H), 2.55-2.50 (m, 2H). GC/MS (method L, ESIpos): Rt=2.32 min, m/z=162/164 [M]+. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
47% | With ammonia; In methanol; at 50℃; for 18h;Sealed tube; | In a sealed tube, a solution of tetrahydro-4H-pyran-4-one (2.00 g, 19.98 mmol) and <strong>[14150-94-8]1-methyl-3,5-dinitro-1H-pyridin-2-one</strong> (3.98 g, 19.98 mmol) in ammonia (7N in MeOH) (34mL) was stirred at 50 C for 18 h. After cooling down to rt, the mixture was diluted withDCM and a saturated aqueous solution of NaHCO3 was added. The aqueous layer was separated and extracted with DCM (three times). The combined organic layers were dried over MgSO4, filtered off and evaporated in vacuo to give 1.70 g of intermediate 100 (47% yield, red solid). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With ammonium formate;palladium 10% on activated carbon; In methanol; water; at 20℃; | Reference Example 17 Tetrahydro-2H-pyran-4-ylamine hydrochloride To a solution of tetrahydro-4H-pyran-4-one (4.30 g, 43.0 mmol) in methanol (112 ml) was added an aqueous solution (12.5 ml) of ammonium formate (25 g, 400 mmol). Insolubles were completely dissolved and then 10percent palladium carbon (5.1 g) was added thereto, which was stirred at room temperature overnight. After the insolubles were filtrated off to obtain a filtrate, which was concentrated, and to the residue was added ethanol (100 ml) and concentrated hydrochloric acid (7.5 ml). The solvent was distilled off under reduced pressure to give an objective product, which was collected by filtration and washed with ether. 1H-NMR (DMSO-d6) delta: 1.54-1.74 (2H, m), 1.82-1.98 (2H, m), 3.27-3.38 (3H, m), 3.87-3.94 (2H, m), 9.05 (3H, bs). IR (KBr) cm-1; 2966, 1377, 1163, 1088, 1015, 986, 862. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
42% | Step A: Preparation of [4-(4-hydroxy-tetrahydro-pyran-4-yl)-phenyl]carbamic acid tert-butyl ester. THF (50 mL) in an oven-dried 500 mL single neck flask was cooled in -78 C. bath under N2. A solution of n-butyllithium in hexanes (15.4 mL, 2.5 M, 38.6 mmol) was added dropwise via syringe over 10 min. The clear solution was stirred at -78 C. for 30 min. N-Boc-4-bromoaniline (5.00 g, 18.4 mmol), dissolved in 10 mL THF, was added dropwise over 10 min with stirring then stirred a further 30 min at -78 C. Tetrahydro-4H-pyran-4-one (2.02 g, 20.2 mmol) in 5 mL THF added was dropwise over 10 min. After 150 min, the reaction mixture was allowed to warm to RT then added to 200 mL saturated NH4Cl and extracted with ether (3*100 mL). The combined organic layers were washed with water (50 mL) and brine (50 mL) and dried over MgSO4. Filtration and concentration provided the crude product that was recrystallized from 70 mL DCM to give the purified product as a white solid (2.29 g, 42%). MS (ESI): mass calcd. for C16H23NO4, 293.3; m/z found, 276.1 [M-H2O+H]+. 1H NMR (500 MHz, CDCl3): 7.46-7.38 (m, 2H), 7.36 (d, J=8.6 Hz, 2H), 6.48 (s, 1H), 3.90 (m, 4H), 2.30-1.98 (m, 2H), 1.68 (d, J=12.1 Hz, 2H), 1.52 (s, 9H). | |
590 mg | A) tert-butyl (4-(4-hydroxytetrahydro-2H-pyran-4-yl)phenyl)carbamate To a solution of <strong>[131818-17-2]tert-butyl (4-bromophenyl)carbamate</strong> (1.5 g) in tetrahydrofuran (30 mL) was added dropwise n-butyllithium (1.6 M hexane solution, 7.2 mL) at -78C under nitrogen atmosphere, and the mixture was stirred at the same temperature for 1 hr. Dihydro-2H-pyran-4(3H)-one (0.58 g) was added thereto, and the mixture was stirred overnight while it was allowed to be warmed. To the reaction mixture was added saturated aqueous ammonium chloride solution, and the mixture was extracted with ethyl acetate. The obtained organic layer was washed with saturated brine, and dried over anhydrous magnesium sulfate, and the solvent was evaporated under reduced pressure. The residue was purified by silica gel column chromatography (hexane/ethyl acetate) to give the title compound (590 mg). 1H NMR(400 MHz, CDCl3)delta1.52 (9H, s), 1.65-1.73 (2H, m), 2.09-2.22 (2H, m), 3.82-3.99 (4H, m), 6.48 (1H, br. s), 7.32-7.39 (2H, m), 7.39-7.45 (2H, m). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Intermediate 99 (500 mg, 2.15 mmol) was dissolved in THF (30 mL) and cooled to -78 C. tBuLi (3.39 mL, 1.9 M in pentane, 6.45 mmol) was added drop-wise and the reaction mixture was stirred at -78 C for 5 min. A solution of oxan-4-one (1.08 g, 10.8 mmol) in THF (10 mL) was added and the reaction mixture was stirred at -78 C for 30 min and then warmed to r.t.. The reaction mixture was quenched with water (5 mL) and concentrated in vacuo. The residue was purified by reverse phase column chromatography to give the crude title compound as a yellow solid (507 mg, 100%).LCMS (ES+): 236.0 (M+H)+. | ||
Intermediate 99 (500 mg, 2.15 mmol) was dissolved in THF (30 mL) and cooled to -78 C. tBuLi (3.39 mL, 1.9 M in pentane, 6.45 mmol) was added drop-wise and the reaction mixture was stirred at -78 C. for 5 min. A solution of oxan-4-one (1.08 g, 10.8 mmol) in THF (10 mL) was added and the reaction mixture was stirred at -78 C. for 30 min and then warmed to r.t. The reaction mixture was quenched with water (5 mL) and concentrated in vacuo. The residue was purified by reverse phase column chromatography to give the crude title compound as a yellow solid (507 mg, 100%). LCMS (ES+): 236.0 (M+H)+. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Step A: Preparation of 4-methylenetetrahydro-2H-pyran: A solution of dihydro-2H-pyran-4(3H)-one (2.50g; 25.0mmol) in THF (50mL) was sparged with nitrogen for 15 minutes. The solution was cooled to 5 C under nitrogen with stirring. A solution of Tebbe reagent (bis(cyclopentadienyl)-mu-chloro(dimethylaluminum)-mu-methylenetitanium) (25.0 mmol; 0.50 M solution in toluene; Sigma- Aldrich Chemical Co.) was added. The mixture was allowed to warm to ambient temperature. Ether was added (400 mL). The reagent was quenched by the careful addition of 0.1M sodium hydroxide (10 mL). (The quench is highly exothermic with considerable effervescence). The resulting solution was dried (sodium sulfate) and filtered through a mixture of Celite and alumina washing the filter cake with ether. The filtrate was partially concentrated to remove the majority of the ether at 50 C and a pressure of 580 mm Hg. The resulting mixture was diluted with pentane, filtered through Celite and then partially concentrated as previously (taking care not to lose the volatile product). The resulting solution in toluene/pentane was continued to the next step without characterization of the product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
70% | With sodium hydroxide; In ethanol; at 5 - 27℃; | General procedure: The a,b-unsaturated carbonyl-based cyclohexanone compoundswere synthesized using direct coupling method as reportedpreviously28,37 (Table 2). The ketones were reacted with suitablearomatic aldehyde at molar ratio 1:2 using base-catalyzed claisen-schmidt condensation to synthesize 21 new compounds (3a?3u). Characterization data of only three compounds (3c, 3f, 3o)was reported previously.37 The flow diagram for the synthesis ofa,b-unsaturated carbonyl-based compounds is shown in Scheme 1.The ketone (10 mmol, 1 equiv) and aromatic aldehyde (20 mmol,2 equiv) were mixed in round bottom flask using 25 mL ethanolat 5 C. 40percent sodium hydroxide solution (in ethanol) was added tothis solution. The mixture was stirred for 1?24 h at 27 C. The precipitateappearance and color variation indicated product formation.The reaction was monitored using TLC while acidified icewas added to stop it when completed. Recrystallization and/or columnchromatography were used to isolate the compounds. 4.3.20 3,5-Bis-(2-chloro-3,4-dimethoxy-benzylidene)-tetrahydro-pyran-4-one (3t) Yield: 70percent; Mp: 106-108 °C; 1H NMR (500 MHz, CDCl3) delta: 7.79 (s, 2H), 6.89 (d, J = 8.5 Hz, 2H), 6.53 (d, J = 8.5 Hz, 2H), 3.70 (s, 12H), 2.69 (s, 4H); 13C NMR (500 MHz, CDCl3) delta: 187.4, 152.3, 143.6, 136.2, 131.0, 126.5, 124.7, 114.9, 100.2, 68.2, 56.9, 55.6; HRMS (ESI) m/z: 466.32 [M+H]+, Microanalysis calculated for C23H22Cl2O6 (465.32): C, 59.37; H, 4.77. Found: C, 59.55; H, 4.86. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
69% | With sodium hydroxide; In ethanol; at 5 - 27℃; | General procedure: New a, b-unsaturated carbonyl-based compounds (5a-g and 6au)were synthesized using direct coupling technique [40] (Scheme 1). The reaction was carried out using base-catalyzed Claisen-Schmidt condensation reaction, by reacting different types of ketoneswith appropriate aromatic aldehyde at molar ratio 2:1 tosynthesize new compounds (5a-g) and at molar ratio 1:1 for (6a-u).For synthesis of 6a-u first 5a-g intermediates were synthesized andin second step appropriate aldehydes were reacted with intermediates.The detailed method of synthesis has already beenreported by us previously [38,40]. Scheme 1 shows the highlights ofsynthesis of compound 3, 4 and a, b-unsaturated carbonyl-basedcompounds along with oxime derivatives. 15 mL ethanol wastaken in a round bottom flask and aromatic aldehyde (20 mmol, 2equivalent) and specific ketone (10 mmol,1 equivalent) were addedand dissolved using a stirrer for 2-3 min at 5 C. Into the abovesolution, 40% NaOH solution in ethanol was added drop wise andthe mixture was stirred for 1-24 h at 27 C. The color change andprecipitate formation in the reaction mixture showed productformation. TLC was used to monitor the reaction and acidified icewas added to quench the reaction once completed. The isolation ofcompounds was done by recrystallization and/or by using columnchromatography. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
78% | With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; for 120h; | Preparation 1354-Bromo-5-chloro-N-(oxan-4-yl)pyridin-2-amine (1750) (1751) A stirred mixture of <strong>[1187449-01-9]2-amino-4-bromo-5-chloropyridine</strong> (500 mg, 2.34 mmol) and tetrahydro-4H- pyran-4-one (654 pL, 7.01 mmol) in 1 ,2-dichloroethane (6 mL) was treated with sodium triacetoxyborohydride (1.277 g, 5.84 mmol). After 5 days the mixture was treated with NaOH (1 M, 5 ml). After 30 minutes, the mixture was diluted with water and extracted with CH2CI2 (x3). The combined organic layers were washed with brine, dried over MgS04, filtered and concentrated under vacuum. The residue was purified by biotage (0-50 percent EtOAc) to yield 4- bromo-5-chloro-N-(oxan-4-yl)pyridin-2-amine (530 mg, 78 percent) as a yellow solid. MS: [M+H]+ = 291/293/295. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
61% | A solution of <strong>[660-49-1]3-fluoro-5-iodoaniline</strong> (250 mg, 1.055 mmol) and dihydro-2H- pyran-4(3H)-one (264 mg, 2.637 mmol) in methanol (5 mL) was charged into a 25 mL round bottom flask with a magnetic stir bar. Acetic acid (0.121 mL, 2.11 mmol) was added and the resulting solution was stirred for 30 minutes at room temperature. Sodium cyanoborohydride (133 mg, 2.11 mmol) was added, the resulting solution was stirred overnight at room temperature. The reaction was quenched with 10 mL 1M aqueous NaOH, stirred for 15 minutes. The solution was extracted with EtOAc (3 x 15 mL), the combined organic layers were washed with brine (15 mL), dried with MgS04, filtered, and evaporated under vaccuum. The crude product was dry loaded onto 3 g. silica and purified by column chromatography (ISCO normal phase, 24 g. gold column, 0-60% EtOAc/hexanes gradient) to isolate N-(3-fluoro-5-iodophenyl)tetrahydro-2H-pyran-4- amine (047) (208 mg, 0.648 mmol, 61%). 1H NMR (400 MHz, CDCb) d ppm 1.41 - 1.55 (m, 2 H) 1.95 - 2.09 (m, 2 H) 3.38 - 3.48 (m, 1 H) 3.53 (td, 7=11.61, 2.13 Hz, 2 H) 3.65 - 3.80 (m, 1 H) 4.02 (br d, 7=11.54 Hz, 2 H) 6.20 - 6.30 (m, 1 H) 6.73 (br d, 7=1.76 Hz, 2 H). LCMS: 322.6 [M+H]+. |
Tags: 29943-42-8 synthesis path| 29943-42-8 SDS| 29943-42-8 COA| 29943-42-8 purity| 29943-42-8 application| 29943-42-8 NMR| 29943-42-8 COA| 29943-42-8 structure
A577617 [625099-31-2]
3,3-Dimethyldihydro-2H-pyran-4(3H)-one
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A577617 [625099-31-2]
3,3-Dimethyldihydro-2H-pyran-4(3H)-one
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P353 | Rinse skin with water/shower. |
P360 | Rinse immediately contaminated clothing and skin with plenty of water before removing clothes. |
P361 | Remove/Take off immediately all contaminated clothing. |
P362 | Take off contaminated clothing and wash before reuse. |
P363 | Wash contaminated clothing before reuse. |
P370 | In case of fire: |
P371 | In case of major fire and large quantities: |
P372 | Explosion risk in case of fire. |
P373 | DO NOT fight fire when fire reaches explosives. |
P374 | Fight fire with normal precautions from a reasonable distance. |
P376 | Stop leak if safe to do so. Oxidising gases (section 2.4) 1 |
P377 | Leaking gas fire: Do not extinguish, unless leak can be stopped safely. |
P378 | |
P380 | Evacuate area. |
P381 | Eliminate all ignition sources if safe to do so. |
P390 | Absorb spillage to prevent material damage. |
P391 | Collect spillage. Hazardous to the aquatic environment |
P301 + P310 | IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
P301 + P312 | IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
P301 + P330 + P331 | IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
P302 + P334 | IF ON SKIN: Immerse in cool water/wrap in wet bandages. |
P302 + P350 | IF ON SKIN: Gently wash with plenty of soap and water. |
P303 + P361 + P353 | IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
P304 + P312 | IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell. |
P304 + P340 | IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
P304 + P341 | IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P305 + P351 + P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
P306 + P360 | IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes. |
P307 + P311 | IF exposed: call a POISON CENTER or doctor/physician. |
P308 + P313 | IF exposed or concerned: Get medical advice/attention. |
P309 + P311 | IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician. |
P332 + P313 | IF SKIN irritation occurs: Get medical advice/attention. |
P333 + P313 | IF SKIN irritation or rash occurs: Get medical advice/attention. |
P335 + P334 | Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages. |
P337 + P313 | IF eye irritation persists: Get medical advice/attention. |
P342 + P311 | IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
P370 + P376 | In case of fire: Stop leak if safe to Do so. |
P370 + P378 | In case of fire: |
P370 + P380 | In case of fire: Evacuate area. |
P370 + P380 + P375 | In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. |
P371 + P380 + P375 | In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion. |
Storage | |
Code | Phrase |
P401 | |
P402 | Store in a dry place. |
P403 | Store in a well-ventilated place. |
P404 | Store in a closed container. |
P405 | Store locked up. |
P406 | Store in corrosive resistant/ container with a resistant inner liner. |
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 |
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