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Substance Name: (+-)-1,2:3,4-Diepoxybutane
RN: 298-18-0
UNII: GQK28B9ZWF
InChIKey: ZFIVKAOQEXOYFY-QWWZWVQMSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C4-H6-O2

Molecular Weight

  • 86.0894
 
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Names and Synonyms

Results Name

  • (+-)-1,2:3,4-Diepoxybutane

Name of Substance

  • Diepoxybutane, (R*,R*)-(+/-)-

Synonyms

  • (+-)-1,2:3,4-Diepoxybutane
  • (R*,R*)-(+-)-2,2'-Bioxirane
  • 1,2:3,4-Dianhydro-DL-threitol
  • CCRIS 2782
  • D,L-1,2:3,4-Diepoxybutane
  • D,L-Diepoxybutane
  • Diepoxybutane, dl-
  • dl-Butadiene dioxide
  • EINECS 206-060-6
  • UNII-GQK28B9ZWF

Systematic Names

  • 1,2,3,4-Diepoxybutane
  • 2,2'-Bioxirane, (2R,2'R)-rel-
  • 2,2'-Bioxirane, (theta,theta)-(+/-)-
  • Butane, (+-)-1,2:3,4-diepoxy-

Registry Numbers

CAS Registry Number

  • 298-18-0

FDA UNII

  • GQK28B9ZWF

System Generated Number

  • 0000298180

Structure Descriptors

InChI

1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1

InChIKey

ZFIVKAOQEXOYFY-QWWZWVQMSA-N

Smiles

C1O[C@H]1[C@H]2CO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 800mg/kg (800mg/kg)   Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.
rat LC50 inhalation 56ppm/4H (56ppm)   Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.
rat LD50 oral 210mg/kg (210mg/kg)   Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 3 deg C   EXP
Boiling Point 144 deg C   EXP
log P (octanol-water) -0.580 (none)   EST
Water Solubility 1.00E+06 mg/L   EXP
Vapor Pressure 6.110 mm Hg 25 EST
Henry's Law Constant 3.54E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.96E-13 cm3/molecule-sec 25 EST

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