Diacetin Structure

Diacetin

Chemical Properties

Melting point -30 °C
Boiling point 280 °C
Density  1.17 g/mL at 25 °C (lit.)
vapor density  6.1 (vs air)
vapor pressure  <1 mm Hg ( 20 °C)
refractive index  n20/D 1.440(lit.)
Flash point >230 °F
storage temp.  Inert atmosphere,Room Temperature
solubility  alcohol: soluble(lit.)
form  Liquid
color  Clear colorless
PH 5-6 (50g/l, H2O, 20℃)
Odor at 100.00 %. very mild alcoholic
Odor Type alcoholic
biological source synthetic
Water Solubility  Soluble in water, alcohol, ether, benzene
Sensitive  Hygroscopic
Merck  14,2961
BRN  1706903
Major Application flavors and fragrances
Cosmetics Ingredients Functions SOLVENT
InChI 1S/2C7H12O5/c1-5(8)11-3-7(10)4-12-6(2)9;1-5(9)11-4-7(3-8)12-6(2)10/h7,10H,3-4H2,1-2H3;7-8H,3-4H2,1-2H3
InChIKey TWSUHSVPDUPKDH-UHFFFAOYSA-N
SMILES CC(=O)OCC(O)COC(C)=O.CC(=O)OCC(CO)OC(C)=O
LogP -0.640
CAS DataBase Reference 25395-31-7(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances GLYCEROL DIACTATE
FDA 21 CFR 177.1200
EWG's Food Scores 1
FDA UNII GJ0544W99Q
NIST Chemistry Reference 1,2,3-Propanetriol, diacetate(25395-31-7)
EPA Substance Registry System 1,2,3-Propanetriol, diacetate (25395-31-7)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Corrosion (GHS05)Exclamation Mark (GHS07)
Signal wordDanger
Hazard statements H302-H315-H318-H335
Precautionary statements P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Safety Statements  24/25
WGK Germany  1
RTECS  AK3325000
F  3
TSCA  TSCA listed
HS Code  29153930
Storage Class 10 - Combustible liquids
Toxicity dog,LD50,intravenous,3gm/kg (3000mg/kg),"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 667, 1986.
NFPA 704:
0
0 1

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