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Substance Name: 2,3-Butanediol
RN: 513-85-9
UNII: 45427ZB5IJ
InChIKey: OWBTYPJTUOEWEK-UHFFFAOYSA-N

Molecular Formula

  • C4-H10-O2

Molecular Weight

  • 90.121
 
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Names and Synonyms

Name of Substance

  • 2,3-Butanediol
  • 2,3-Butylene glycol

Synonyms

  • 2,3-Butanediol
  • 2,3-Butylene glycol
  • 2,3-Dihydroxybutane
  • 4-01-00-02524 (Beilstein Handbook Reference)
  • BRN 0969165
  • CCRIS 5501
  • Dimethylene glycol
  • Dimethylethylene glycol
  • EC 208-173-6
  • EINECS 208-173-6
  • HSDB 1505
  • Pseudobutylene glycol
  • Sym-dimethylethylene glycol
  • UNII-45427ZB5IJ

Systematic Names

  • 2,3-Butanediol
  • Butane-2,3-diol

Registry Numbers

CAS Registry Number

  • 513-85-9

FDA UNII

  • 45427ZB5IJ

Other Registry Number

  • 98923-25-2

System Generated Number

  • 0000513859

Structure Descriptors

InChI

1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3

InChIKey

OWBTYPJTUOEWEK-UHFFFAOYSA-N

Smiles

CC(O)C(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6075mg/kg (6075mg/kg)   Toxicology and Applied Pharmacology. Vol. 49, Pg. 385, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 25 deg C   EXP
Boiling Point 182 deg C   EXP
pKa Dissociation Constant 14.9 (none) 25 EXP
log P (octanol-water) -0.92 (none)   EXP
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 0.243 mm Hg 25 EXP
Henry's Law Constant 2.88E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.73E-11 cm3/molecule-sec 25 EST

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