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Substance Name: Dimethyl carbonate
RN: 616-38-6
UNII: KE9J097SPN
InChIKey: IEJIGPNLZYLLBP-UHFFFAOYSA-N

Molecular Formula

  • C3-H6-O3

Molecular Weight

  • 90.0774
 
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Names and Synonyms

Results Name

  • Dimethyl carbonate

Name of Substance

  • Methyl carbonate

Synonyms

  • AI3-14705
  • Dimethyl carbonate
  • EC 210-478-4
  • EINECS 210-478-4
  • HSDB 6928
  • Methyl carbonate
  • Methyl carbonate ((MeO)2CO)
  • NSC 9371
  • UNII-KE9J097SPN

Systematic Names

  • Carbonic acid, dimethyl ester
  • Dimethyl carbonate

Superlist Names

  • Carbonic acid, dimethyl ester
  • Dimethyl carbonate [UN1161] [Flammable liquid]
  • Methyl carbonate
  • UN1161

Registry Numbers

CAS Registry Number

  • 616-38-6

FDA UNII

  • KE9J097SPN

System Generated Number

  • 0000616386

Structure Descriptors

InChI

InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3

InChIKey

IEJIGPNLZYLLBP-UHFFFAOYSA-N

Smiles

COC(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 361, 1979.
mouse LD50 oral 6gm/kg (6000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 361, 1979.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 361, 1979.
rat LD50 intraperitoneal 1600mg/kg (1600mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 361, 1979.
rat LD50 oral 13gm/kg (13000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 361, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 3 deg C   EXP
Boiling Point 90.5 deg C   EXP
log P (octanol-water) 0.230 (none)   EST
Water Solubility 1.38E+05 mg/L 25 EST
Henry's Law Constant 6.20E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.10E-13 cm3/molecule-sec 25 EXP

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