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25395-31-7

Basic Information
CAS No.: 25395-31-7
Name: Diacetin
Molecular Structure:
Molecular Structure of 25395-31-7 (Diacetin)
Formula: C7H12O5
Molecular Weight: 176.19
Synonyms: 1,2,3-Propanetriol,esters,diacetate;Estol 1582;[(2S)-2-acetyloxy-3-hydroxy-propyl] acetate;Estol 1583;(3-acetyloxy-2-hydroxy-propyl) acetate;[(2R)-2-acetyloxy-3-hydroxy-propyl] acetate;Glycerol diacetate;
EINECS: 246-941-2
Density: 1.182 g/cm3
Melting Point: -30 °C
Boiling Point: 240.3 °C at 760 mmHg
Flash Point: 90.7 °C
Solubility: Soluble in water, alcohol, ether, benzene
Appearance: clear liquid
Hazard Symbols:
Risk Codes:
Safety: 24/25
Transport Information:
PSA: 72.83000
LogP: -0.52650
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    Diacetin

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  • 3-Hydroxypropane-1,2-diyl diacetate

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  • Diacetin

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    Diacetin

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Chemistry

Structure of Diacetin (CAS NO.25395-31-7):

IUPAC Name: [(2R)-1-Acetyloxy-3-hydroxypropan-2-yl] acetate
Molecular Formula: C7H12O5
Molar mass: 176.17 g/mol
Density: 1.182 g/cm3
Flash Point: 100.2 °C
Index of Refraction: 1.443
Boiling Point: 259.1 °C at 760 mmHg
Vapour Pressure: 0.00193 mmHg at 25 °C
Melting Point: -30 °C
Sensitive: hygroscopic
Appearance: absorption near colorless, transparent oily liquid
XLogP3-AA: -0.3
H-Bond Donor: 1
H-Bond Acceptor: 5
Canonical SMILES: CC(=O)OCC(CO)OC(=O)C
Isomeric SMILES: CC(=O)OC[C@@H](CO)OC(=O)C
InChI: InChI=1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3/t7-/m1/s1 
InChIKey: UXDDRFCJKNROTO-SSDOTTSWSA-N
EINECS: 246-941-2
Product categories: Solvents and Cosolvent; Food processing aids; Food additive

Uses

 Diacetin (CAS NO.25395-31-7) can be used of carrier solvent (shellac, resins, etc.) and also can be used as  solvent of resin, camphor and cellulose derivatives.

Production

 Glycerol diacetate (CAS NO.25395-31-7) can be derived by heating Glycerol (l mol) and Acetic acid (2 mol).

Toxicity Data With Reference

1.    

scu-rat LD50:4 g/kg

    PSEBAA    Proceedings of the Society for Experimental Biology and Medicine. 46 (1941),26.
2.    

orl-mus LD50:8500 mg/kg

    BCFAAI    Bollettino Chimico Farmaceutico. 125 (1986),401.
3.    

ipr-mus LD50:2300 mg/kg

    BCFAAI    Bollettino Chimico Farmaceutico. 125 (1986),401.
4.    

scu-mus LD50:2500 mg/kg

    PSEBAA    Proceedings of the Society for Experimental Biology and Medicine. 46 (1941),26.
5.    

ivn-dog LD50:3 g/kg

    85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,667.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Statements: 24/25 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 1
RTECS: AK3325000
F: 3
HS Code: 29153930
Low toxicity by ingestion and other routes. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 Diacetin (CAS NO.25395-31-7) also can be called AI3-00676 ; Diacetylglycerol ; Estol 1582 ; Estol 1583 ; Glycerin diacetate ; Glycerine diacetate ; Glycerol diacetate ; Glyceryl diacetate ; 1,2,3-Propanetriol, diacetate . Diacetin (CAS NO.25395-31-7) can be stable under normal temperature and pressure conditions. It is not compatible with strong oxidizing agents and not be exposured to moist air or water. And also prevent it to broken down into hazardous decomposition products: carbon dioxide, carbon monoxide.