[ CAS No. 2277-23-8 ] {[proInfo.proName]}

Name: 2277-23-8|2,3-Dihydroxypropyl decanoate|95%
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Quality Control of [ 2277-23-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 2277-23-8 ]

SDS Specification

Alternatived Products of [ 2277-23-8 ]

Product Details of [ 2277-23-8 ]

CAS No. :	2277-23-8	MDL No. :	MFCD00056656
Formula :	C₁₃H₂₆O₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	LKUNXBRZDFMZOK-UHFFFAOYSA-N
M.W :	246.34	Pubchem ID :	92926
Synonyms :	1-Decanoyl-rac-glycerol;MG(10:0/0:0/0:0);Glycerol 1-monocaprinate;Monoctanoin component B;Monocaprin;1-Monodecanoin;1-Monocaprin

Calculated chemistry of [ 2277-23-8 ]

Physicochemical Properties

Num. heavy atoms :	17
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.92
Num. rotatable bonds :	12
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	68.21
TPSA :	66.76 Å²

Pharmacokinetics

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) :	-5.62 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.09
Log Po/w (XLOGP3) :	3.08
Log Po/w (WLOGP) :	2.02
Log Po/w (MLOGP) :	1.69
Log Po/w (SILICOS-IT) :	2.81
Consensus Log Po/w :	2.54

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	1.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.52
Solubility :	0.751 mg/ml ; 0.00305 mol/l
Class :	Soluble
Log S (Ali) :	-4.15
Solubility :	0.0175 mg/ml ; 0.0000709 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-2.91
Solubility :	0.304 mg/ml ; 0.00123 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.21

Safety of [ 2277-23-8 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 2277-23-8 ]

* 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.

Upstream synthesis route of [ 2277-23-8 ]
Downstream synthetic route of [ 2277-23-8 ]

[ 2277-23-8 ] Synthesis Path-Upstream 1~13

1
[ 120294-04-4 ]
[ 2277-23-8 ]

Reference： [1] Journal of Agricultural and Food Chemistry, 1999, vol. 47, # 5, p. 1863 - 1869
[2] Journal of Biological Chemistry, 2018, vol. 293, # 44, p. 16953 - 16963

2
[ 334-48-5 ]
[ 56-81-5 ]
[ 60514-49-0 ]
[ 2277-23-8 ]
[ 17598-93-5 ]
[ 172588-12-4 ]

Reference： [1] Journal of Molecular Catalysis B: Enzymatic, 2014, vol. 100, p. 7 - 18

3
[ 334-48-5 ]
[ 56-81-5 ]
[ 60514-49-0 ]
[ 621-71-6 ]
[ 2277-23-8 ]
[ 17598-93-5 ]
[ 172588-12-4 ]

Reference： [1] Journal of Molecular Catalysis B: Enzymatic, 2014, vol. 100, p. 7 - 18

4
[ 931-40-8 ]
[ 334-48-5 ]
[ 2277-23-8 ]

Reference： [1] JAOCS, Journal of the American Oil Chemists' Society, 2014, vol. 91, # 2, p. 337 - 348

5
[ 334-48-5 ]
[ 2277-23-8 ]

Reference： [1] Journal of Agricultural and Food Chemistry, 1999, vol. 47, # 5, p. 1863 - 1869
[2] Journal of Biological Chemistry, 2018, vol. 293, # 44, p. 16953 - 16963

6
[ 110-42-9 ]
[ 56-81-5 ]
[ 2277-23-8 ]
[ 17863-69-3 ]
[ 17598-93-5 ]

Reference： [1] Green Chemistry, 2013, vol. 15, # 3, p. 786 - 797

7
[ 2082-76-0 ]
[ 56-81-5 ]
[ 2277-23-8 ]

Reference： [1] Tetrahedron Asymmetry, 2004, vol. 15, # 22, p. 3551 - 3559

8
[ 334-48-5 ]
[ 56-81-5 ]
[ 2277-23-8 ]

Reference： [1] Green Chemistry, 2017, vol. 19, # 2, p. 390 - 396

9
[ 334-48-5 ]
[ 56-81-5 ]
[ 621-71-6 ]
[ 2277-23-8 ]
[ 17863-69-3 ]
[ 17598-93-5 ]

Reference： [1] JAOCS, Journal of the American Oil Chemists' Society, 1999, vol. 76, # 7, p. 839 - 843

10
[ 334-48-5 ]
[ 556-52-5 ]
[ 2277-23-8 ]

Reference： [1] JAOCS, Journal of the American Oil Chemists' Society, 2014, vol. 91, # 2, p. 337 - 348

11
[ 1002-62-6 ]
[ 2277-23-8 ]

Reference： [1] Fette und Seifen, 1955, vol. 57, p. 652,656[2] Grasas Aceites, 1956, vol. 7, p. 286,292

12
[ 334-48-5 ]
[ 56-81-5 ]
[ 621-71-6 ]
[ 2277-23-8 ]
[ 17598-93-5 ]

Reference： [1] JAOCS, Journal of the American Oil Chemists' Society, 1996, vol. 73, # 11, p. 1521 - 1525
[2] JAOCS, Journal of the American Oil Chemists' Society, 2014, vol. 91, # 2, p. 261 - 270

13
[ 110-38-3 ]
[ 56-81-5 ]
[ 621-71-6 ]
[ 2277-23-8 ]
[ 3376-48-5 ]
[ 17863-69-3 ]
[ 17598-93-5 ]

Reference： [1] JAOCS, Journal of the American Oil Chemists' Society, 1996, vol. 73, # 11, p. 1489 - 1495

[ 2277-23-8 ] Synthesis Path-Downstream 1~29

1
[ 1002-62-6 ]
[ 2277-23-8 ]

Reference： [1]Fette und Seifen,1955,vol. 57,p. 652,656
Grasas Aceites,1956,vol. 7,p. 286,292

2
[ 2277-23-8 ]
[ 20260-53-1 ]
2,3-dinicotinoyl-1-decanoyl-rac-glycerol [ No CAS ]

Reference： [1]Organic Mass Spectrometry,1994,vol. 29,p. 253 - 259

3
[ 334-48-5 ]
[ 56-81-5 ]
[ 621-71-6 ]
[ 2277-23-8 ]
[ 17598-93-5 ]

Reference： [1]Journal of the American Oil Chemists' Society,1996,vol. 73,p. 1521 - 1525
[2]Journal of the American Oil Chemists' Society,2014,vol. 91,p. 261 - 270

4
[ 110-38-3 ]
[ 56-81-5 ]
[ 621-71-6 ]
[ 2277-23-8 ]
[ 3376-48-5 ]
[ 17863-69-3 ]
[ 17598-93-5 ]

Reference： [1]Journal of the American Oil Chemists' Society,1996,vol. 73,p. 1489 - 1495

5
[ 120294-04-4 ]
[ 2277-23-8 ]

Yield	Reaction Conditions	Operation in experiment
	With amberlyst-15; In methanol; at 20℃; for 16.0h;	General procedure: For reaction 1-To a solution of the desired free fatty acid (1.0equivalent) and 1,2-isopropylideneglycerol (1.0 equivalent) inanhydrous dichloromethane (CH2Cl2 , 1.5 ml) maintained at0 C, N,N-dimethyl-4-aminopyridine (0.25 equivalent) andEDC HCl (1.0 equivalent) was sequentially added. The reactionmixture was warmed to room temperature and stirred for 16 h.Upon disappearance of starting compound observed on TLC,the reaction was quenched with saturated sodium bicarbonate(NaHCO 3 ) and extracted three times with CH 2 Cl 2 . The combinedorganic layer was dried over sodium sulfate (Na 2 SO 4 ) and filtered,and the filtrate was concentrated. The crude residue was purifiedby column chromatography using 5% ethyl acetate/hexane as aneluent to afford the corresponding fatty acid ester. For reaction 2-Amberlyst-15 (Hform, 0.5 equivalent) wasadded to a solution of fatty acid ester (1.0 equivalent) in MeOH.The resulting reaction mixture was stirred for 16 h at roomtemperature. After completion of reaction (TLC analysis),Amberlyst-15 was filtered off, and the filtrate was evaporatedunder reduced pressure. The crude residue was purified by col-umn chromatography using 40% ethyl acetate/hexane as an elu-ent to afford the corresponding 1-MAG lipid. The detailed syn-thesis and compound characterization data of each individual1-MAG lipid can be found in the supporting information.

Reference： [1]Journal of Agricultural and Food Chemistry,1999,vol. 47,p. 1863 - 1869
[2]Journal of Biological Chemistry,2018,vol. 293,p. 16953 - 16963

6
[ 334-48-5 ]
[ 56-81-5 ]
[ 621-71-6 ]
[ 2277-23-8 ]
[ 17863-69-3 ]
[ 17598-93-5 ]

Reference： [1]Journal of the American Oil Chemists' Society,1999,vol. 76,p. 839 - 843

7
[ 2277-23-8 ]
[ 122376-19-6 ]
2,3-diacetoxy-succinic acid mono-(3-decanoyloxy-2-hydroxy-propyl) ester [ No CAS ]

Reference： [1]Journal of Agricultural and Food Chemistry,1999,vol. 47,p. 1863 - 1869

Yield	Reaction Conditions	Operation in experiment
		Example 2 Polyglycerol-3 Caprate 460 g of a polyglycerol characterized by the following distribution (% by weight):

10
[ 111-64-8 ]
glycerol-α,β-isopropylidene ether [ No CAS ]
[ 2277-23-8 ]

Reference： [1]Journal of the American Chemical Society,1929,vol. 51,p. 869

11
[ 334-48-5 ]
glycerol-1.2-isopropylidene ether [ No CAS ]
[ 2277-23-8 ]

Reference： [1]Journal of the Chemical Society,1936,p. 1630

12
[ 112-13-0 ]
glycerol-1.2-isopropylidene ether [ No CAS ]
[ 2277-23-8 ]

Reference： [1]Journal of the Indian Institute of Science, Section A,1930,vol. 13,p. 133
Chemisches Zentralblatt,1930,vol. 101,p. 3737

13
[ 2082-76-0 ]
[ 56-81-5 ]
[ 2277-23-8 ]

Reference： [1]Tetrahedron Asymmetry,2004,vol. 15,p. 3551 - 3559

14
[ 334-48-5 ]
[ 2277-23-8 ]

Reference： [1]Journal of Agricultural and Food Chemistry,1999,vol. 47,p. 1863 - 1869
[2]Journal of Biological Chemistry,2018,vol. 293,p. 16953 - 16963

15
[ 2277-23-8 ]
[ 77224-08-9 ]
[ 1314928-95-4 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium acetate; acetic acid; In water; at 45℃; for 48.0h;pH 6.0;Enzymatic reaction;	Example 2: In vitro qlycosylation of monoglyceride by qlvcosvltranferase using the carbohydrate solutions of example 1 as substrates; Cio based monoglyceride (glycerol monodecanoate, CAS No. 26402-22-2) is tested as acceptor substrate for transglycosidase reaction in a buffer based in vitro system. Preparation:Monodecanoate solution: 20% monodecanoate in acetate buffer (pH 6.0)80 g of buffer pH 6.0 was placed in a 150 mL glass beaker and heated to 40-44C and 20 g of melted glycerol monodecanoate (Danisco A/S) added. The monodecanoate was dispersed in the water using an Ultra Turax for 20 sec. 10 gram of the monoglyceride dispersion is placed in 12 x 20 mL wheaton glass and treated according to Table 2. Table 2: Treatment schemeIn Table 2, the transglycosidase enzyme used was a beta-glucosidase from Trichoderma reesei, commercially available as Accellerase BG (3500 U/ml). 3500 U of this enzyme were used.The glasses were placed in a heating block with magnetic stirring and temperature control and heated to 45C. Each glass was added the first portion of carbohydrate solution and the reactions were initiated by addition of 100 U of the Accellerase BG (lot 1601 1709444) enzyme solution and incubated while stirring at 45C. After 18 and 26 hours an additional portions of carbohydrate solutions were added to the reaction glasses to ensure that the equilibrium in the reaction mixture favour glycolipid formation. After 48 hours the reaction glasses were heat treated for 2 min in 90C water bath to inactivate the enzyme. Cooled to 25C and 1.5 mL samples were taken from each reaction glass. The samples were lyophilised to dryness. 2 mg of each sample were suspended in 10OmicronmuIota chloroform/methanol/water/formic acid (50/50/10/0.5). 200muIota H20 was added and the sample mixture was shaken vigorously and the two liquid phases were separated by centrifugation. The upper phase (H20/methanol) was analysed by Liquid Chromatography-mass spectrometry (LC-MS) for the potential target products, using reversed-phase high-performance liquid chromatography coupled on-line with electrospray ionisation mass spectrometry in positive mode (HPLC/ESP-MS). The column was a C18 column and the gradient was based on water / acetone. Sodium acetate was added for adduct formation in positive mode. Formation of the target aminoglycosyl and N-acylaminoglycosyl monoglycerides (Compounds 1 and 2) shown below, as well as monogalactosyl monoglyceride (Reference Compound 1 ) was confirmed by MS/MS spectral analysis (see Figs. 1 to 4).

Reference： [1]Patent: WO2011/89561,2011,A1 .Location in patent: Page/Page column 45-46

16
[ 2277-23-8 ]
[ 56-81-5 ]
[ 10430-97-4 ]
[ 17174-65-1 ]

Reference： [1]Green Chemistry,2013,vol. 15,p. 786 - 797

17
[ 110-42-9 ]
[ 56-81-5 ]
[ 2277-23-8 ]
[ 17863-69-3 ]
[ 17598-93-5 ]

Reference： [1]Green Chemistry,2013,vol. 15,p. 786 - 797

18
[ 931-40-8 ]
[ 334-48-5 ]
[ 2277-23-8 ]

Reference： [1]Journal of the American Oil Chemists' Society,2014,vol. 91,p. 337 - 348

19
[ 334-48-5 ]
[ 556-52-5 ]
[ 2277-23-8 ]

Reference： [1]Journal of the American Oil Chemists' Society,2014,vol. 91,p. 337 - 348

20
[ 2277-23-8 ]
[ 920-46-7 ]
3-(decanoyloxy)propan-1,2-diyl bis(2-methylacrylate) [ No CAS ]

Reference： [1]Journal of the American Oil Chemists' Society,2014,vol. 91,p. 337 - 348

21
[ 2277-23-8 ]
[ 814-68-6 ]
3-(decanoyloxy)propan-1,2-diyl diacrylate [ No CAS ]

Reference： [1]Journal of the American Oil Chemists' Society,2014,vol. 91,p. 337 - 348

22
[ 334-48-5 ]
[ 56-81-5 ]
[ 60514-49-0 ]
[ 621-71-6 ]
[ 2277-23-8 ]
[ 17598-93-5 ]
[ 172588-12-4 ]

Yield	Reaction Conditions	Operation in experiment
	With Rhizomucor miehei 1,3-specific lipase immobilized by adsorption on anion exchange phenolic resin Duolite A-568; silica gel; In n-heptane; at 50℃; for 6.0h;Enzymatic reaction;	General procedure: 2.2 Adsorption of glycerol on silica gel (0009) Glycerol was adsorbed as follows: 1g of glycerol and 2g of silica gel were mechanically mixed until total adsorption on the solid. 2.3 Lipase-catalyzed esterification (0010) Esterification of glycerol was performed in 10mL flasks, which were kept in a thermostatic bath with temperature control and magnetic stirring. The reaction time was 6h. The reaction was carried out as follows: 110mg of capric acid were dissolved in 3mL n-heptane, then the amount of glycerol adsorbed onto silica fixed to each reaction under study was added. When the reactant mixture reached the selected temperature, the reaction was started by adding 50% of the total amount of enzyme to be added (time 0). The remaining 50% of the biocatalyst was added after 3h of reaction. The values of glycerol, immobilized lipase dosage and reaction temperature were established according to the experimental design explained below. Highly hydrophilic polyols cause loss of enzymatic activity. This may be due to two factors: (1) in a hydrophobic reaction medium, polyols adhere to the support of the lipase impeding access of the acid to the active site, or (2) the hydroxyl groups of the polyol strongly interact with the active site of the enzyme.

Reference： [1]Journal of Molecular Catalysis B: Enzymatic,2014,vol. 100,p. 7 - 18

23
[ 334-48-5 ]
[ 56-81-5 ]
[ 60514-49-0 ]
[ 2277-23-8 ]
[ 17598-93-5 ]
[ 172588-12-4 ]

Yield	Reaction Conditions	Operation in experiment
	With Rhizomucor miehei 1,3-specific lipase immobilized by adsorption on anion exchange phenolic resin Duolite A-568; silica gel; In n-heptane; at 40℃; for 6.0h;Enzymatic reaction;	General procedure: 2.2 Adsorption of glycerol on silica gel (0009) Glycerol was adsorbed as follows: 1g of glycerol and 2g of silica gel were mechanically mixed until total adsorption on the solid. 2.3 Lipase-catalyzed esterification (0010) Esterification of glycerol was performed in 10mL flasks, which were kept in a thermostatic bath with temperature control and magnetic stirring. The reaction time was 6h. The reaction was carried out as follows: 110mg of capric acid were dissolved in 3mL n-heptane, then the amount of glycerol adsorbed onto silica fixed to each reaction under study was added. When the reactant mixture reached the selected temperature, the reaction was started by adding 50% of the total amount of enzyme to be added (time 0). The remaining 50% of the biocatalyst was added after 3h of reaction. The values of glycerol, immobilized lipase dosage and reaction temperature were established according to the experimental design explained below. Highly hydrophilic polyols cause loss of enzymatic activity. This may be due to two factors: (1) in a hydrophobic reaction medium, polyols adhere to the support of the lipase impeding access of the acid to the active site, or (2) the hydroxyl groups of the polyol strongly interact with the active site of the enzyme.

Reference： [1]Journal of Molecular Catalysis B: Enzymatic,2014,vol. 100,p. 7 - 18

24
[ 334-48-5 ]
[ 56-81-5 ]
[ 2277-23-8 ]

Reference： [1]Green Chemistry,2019,vol. 21,p. 5363 - 5367
[2]Green Chemistry,2017,vol. 19,p. 390 - 396

25
[ 2277-23-8 ]
[ 118292-41-4 ]
3-(decanoyloxy)-2-hydroxypropyl 6-(4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-ylacetenyl)nicotinate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
51 mg	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; at 20℃; for 1.0h;Inert atmosphere;	Compound 1, 100 mg, compound 2, 76 mg,120 mg of 1-ethyl- (3-dimethylaminopropyl) carbodiimide hydrochloride (EDCI)42 mg of 1-hydroxybenzotriazole (HOBt) was dissolved in 2 ml of THF,The reactants were mixed and replaced with nitrogen three times,After stirring at room temperature for 1 hour.TLC detection (DCM: MeOH = 5: 1), the remaining starting material,The system was concentrated directly and scraped into large plates (DCM: MeOH = 10: 1) to give 51 mg of a light yellow oil.

Reference： [1]Patent: CN106749210,2017,A .Location in patent: Paragraph 0019; 0020; 0021; 0022; 0023

26
C₂₆H₄₈O₈Ti [ No CAS ]
[ 7732-18-5 ]
[ 2277-23-8 ]
titanium(IV) oxide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	at 30℃; for 3.0h;	The capric glyceride titanate was cooled to 30 ,97.2 g (5.4 mol) of water was added to the reaction mass, and the reaction was stirred well for 3 hours, and then the material was neutralized to pH = 7.0 with a saturated sodium hydrogen carbonate solution, and then the material was washed three times with water at 60 C. The water-eluted material was dried at 40 C, -0.95 atm (gauge pressure). Subsequently, the material was heated to 90 C, and hot filtered, the filtrate was a monoglyceride product, and the monoglyceride content was 96.8%. The appearance after cooling at room temperature was a colorless transparent solid.

Reference： [1]Patent: CN109456169,2019,A .Location in patent: Paragraph 0024; 0027; 0028

27
[ 2277-23-8 ]
2-aminosuccinic acid 4-(2-hydroxy-3-decanoyloxypropyl) ester [ No CAS ]

Reference： [1]Journal of Agricultural and Food Chemistry,2019,vol. 67,p. 2321 - 2330

28
[ 2277-23-8 ]
[ 4515-23-5 ]
C₂₅H₃₇NO₉ [ No CAS ]

Reference： [1]Journal of Agricultural and Food Chemistry,2019,vol. 67,p. 2321 - 2330

29
C₂₆H₄₈O₈Si [ No CAS ]
[ 2277-23-8 ]

Yield	Reaction Conditions	Operation in experiment
	With water; at 30℃; for 2.0h;	The obtained Decanoic Acid glyceride Silicic acid was cooled to 30 C, 71.3 g (3.96 mol) of water was added to the reaction material, and the reaction was stirred for 2 hours. The material was then neutralized to pH 7.0 = 7.0 with 10% by weight of dilute hydrochloric acid, followed by washing the material three times with water at 1 C. The Water washed -Desalted material was dried at 40 C, -0.95 atm (gauge pressure). Subsequently, the material was heated to 90 C, and hot filtered, the filtrate was a Decanoic Acid Monoglyceride product, and the Decanoic Acid Monoglyceride content was 97.6%. The appearance after cooling at room temperature was a yellowish transparent solid.
	With water; at 30℃; for 2.0h;	The obtained Decanoic acid glycerol silicate was cooled to 30 C, the 97.2 g (5.4 mol) of water was added to the reactant, the reaction was stirred for 2 hours, material was then neutralized to pH = 7.0 with saturated sodium bicarbonate solution, then the material was washed three times with water at 60 C. The water-eluted material was dried at 40 C, -0.95 atm (gauge pressure). The material is then heated to 90 C, hot filtered, and the filtrate is a Decanoic acid Monoglyceride product, the content of the Decanoic acid Monoglyceride product was 97.6%, and the appearance was a colorless transparent solid after cooling at room temperature. The SiO2 gel cake e (about 10% Decanoic acid Monoglyceride) is beaten with a hot water of 60 C in a stirred tank in accordance of filter cake: hot water = 1: 2.5 (weight ratio). The compressed air is sprayed into a natural gas incinerator for heat treatment, and the residual monoglyceride is burned off, and the nano-SiO 2 powder is recovered from the incinerator tail gas, and the particle diameter is mainly distributed at 40 to 85 nm.

Reference： [1]Patent: CN109354573,2019,A .Location in patent: Paragraph 0019; 0022
[2]Patent: CN109456178,2019,A .Location in patent: Paragraph 0024; 0027; 0028

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Ghs Precautionary Statements

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Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
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P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
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P242	Use only non-sparking tools.
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P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
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P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
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P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
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

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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

[ CAS No. 2277-23-8 ] {[proInfo.proName]}

Quality Control of [ 2277-23-8 ]

Related Doc. of [ 2277-23-8 ]

Product Details of [ 2277-23-8 ]

Calculated chemistry of [ 2277-23-8 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 2277-23-8 ]

Application In Synthesis of [ 2277-23-8 ]

[ 2277-23-8 ] Synthesis Path-Upstream 1~13

[ 2277-23-8 ] Synthesis Path-Downstream 1~29

Related Functional Groups of [ 2277-23-8 ]

Aliphatic Chain Hydrocarbons

Alcohols

Esters

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 2277-23-8 ]