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Substance Name: Diacetin
RN: 25395-31-7
UNII: GJ0544W99Q
InChIKey: UXDDRFCJKNROTO-UHFFFAOYSA-N

Molecular Formula

  • C7-H12-O5

Molecular Weight

  • 176.1668
 
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Names and Synonyms

Name of Substance

  • 1,2,3-Propanetriol, diacetate
  • Diacetin

Synonyms

  • AI3-00676
  • CCRIS 9354
  • Diacetin
  • Diacetylglycerol
  • EINECS 246-941-2
  • Estol 1582
  • Estol 1583
  • Glycerin diacetate
  • Glycerine diacetate
  • Glycerol diacetate
  • Glyceryl diacetate
  • UNII-GJ0544W99Q

Systematic Names

  • 1,2,3-Propanetriol, diacetate
  • Acetin, di-
  • Glycerol 1,3-di(acetate)

Registry Numbers

CAS Registry Number

  • 25395-31-7

FDA UNII

  • GJ0544W99Q

Other Registry Numbers

  • 1202865-19-7
  • 1300-63-6
  • 29860-16-0

System Generated Number

  • 0025395317

Structure Descriptors

InChI

1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3

InChIKey

UXDDRFCJKNROTO-UHFFFAOYSA-N

Smiles

C([C@@H](CO)OC(C)=O)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 3gm/kg (3000mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 667, 1986.
mouse LD50 intraperitoneal 2300mg/kg (2300mg/kg)   Bollettino Chimico Farmaceutico. Vol. 125, Pg. 401, 1986.
mouse LD50 oral 8500mg/kg (8500mg/kg)   Bollettino Chimico Farmaceutico. Vol. 125, Pg. 401, 1986.
mouse LD50 subcutaneous 2500mg/kg (2500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Proceedings of the Society for Experimental Biology and Medicine. Vol. 46, Pg. 26, 1941.
rat LD50 subcutaneous 4gm/kg (4000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Proceedings of the Society for Experimental Biology and Medicine. Vol. 46, Pg. 26, 1941.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 259 deg C   EXP
log P (octanol-water) -0.640 (none)   EST
Atmospheric OH Rate Constant 1.08E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.