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Substance Name: Propylene glycol diacetate [NF]
RN: 623-84-7
UNII: 5Z492UNF9O
InChIKey: MLHOXUWWKVQEJB-UHFFFAOYSA-N

Classification Codes

  • Pharmaceutic Aid (Solvent)
  • Skin / Eye Irritant

Molecular Formula

  • C7-H12-O4

Molecular Weight

  • 160.168
 
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Names and Synonyms

Name of Substance

  • 1,2-Propylene diacetate
  • Propylene glycol diacetate
  • Propylene glycol diacetate [NF]

Synonyms

  • 1,2-Diacetoxypropane
  • 1,2-Propanediol, diacetate
  • 1,2-Propylene diacetate
  • 1,2-Propylene glycol diacetate
  • 4-02-00-00220 (Beilstein Handbook Reference)
  • AI3-14910
  • BRN 1768914
  • EC 210-817-6
  • EINECS 210-817-6
  • HSDB 5507
  • Methylethylene acetate
  • Methylethylene diacetate
  • NSC 75843
  • Propylene acetate
  • Propylene diacetate
  • Propylene glycol diacetate
  • Propyleneglycol diacetate
  • UNII-5Z492UNF9O

Systematic Names

  • 1,2-Propanediol, 1,2-diacetate
  • 1,2-Propanediol, diacetate
  • Propane-1,2-diyl diacetate

Registry Numbers

CAS Registry Number

  • 623-84-7

FDA UNII

  • 5Z492UNF9O

Other Registry Number

  • 134236-23-0

System Generated Number

  • 0000623847

Structure Descriptors

InChI

1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3

InChIKey

MLHOXUWWKVQEJB-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 3420mg/kg (3420mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

GASTROINTESTINAL: OTHER CHANGES
Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.
rat LD50 oral 13530mg/kg (13530mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 190.5 deg C   EXP
log P (octanol-water) 0.820 (none)   EST
Water Solubility 1.00E+05 mg/L 25 EXP
Vapor Pressure 0.578 mm Hg 25 EST
Henry's Law Constant 1.38E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.91E-12 cm3/molecule-sec 25 EST

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