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Substance Name: 1,2-Butanediol
RN: 584-03-2
UNII: RUN0H01QEU
InChIKey: BMRWNKZVCUKKSR-UHFFFAOYSA-N

Molecular Formula

  • C4-H10-O2

Molecular Weight

  • 90.121
 
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Names and Synonyms

Name of Substance

  • 1,2-Butanediol

Synonyms

  • 1,2-Butylene glycol
  • 1,2-Dihydroxybutane
  • 4-01-00-02507 (Beilstein Handbook Reference)
  • AI3-07554
  • alpha-Butylene glycol
  • alpha-Butyleneglycol
  • BRN 0969169
  • EINECS 209-527-2
  • HSDB 1507
  • NSC 24242
  • UNII-RUN0H01QEU

Systematic Name

  • 1,2-Butanediol

Superlist Name

  • Butanediol, 1,2-

Registry Numbers

CAS Registry Number

  • 584-03-2

FDA UNII

  • RUN0H01QEU

Other Registry Number

  • 26171-83-5

System Generated Number

  • 0000584032

Structure Descriptors

InChI

1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3

InChIKey

BMRWNKZVCUKKSR-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4192mg/kg (4192mg/kg)   Toxicology and Applied Pharmacology. Vol. 49, Pg. 385, 1979.
rat LD50 oral 16gm/kg (16000mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 207, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 194 deg C   EXP
log P (octanol-water) -0.290 (none)   EST
Water Solubility 1.00E+06 mg/L 25 EXP
Vapor Pressure 0.0501 mm Hg 25 EXP
Henry's Law Constant 5.94E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.59E-11 cm3/molecule-sec 25 EST

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