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Substance Name: 1,2:3,4-Diepoxybutane
RN: 1464-53-5
UNII: 60OB65YNAB
InChIKey: ZFIVKAOQEXOYFY-UHFFFAOYSA-N

Note

  • Difunctional alkylating agent.

Molecular Formula

  • C4-H6-O2

Molecular Weight

  • 86.0894
 

Classification Codes

Classification Codes

  • Carcinogens
  • Cross-Linking Reagents
  • Indicators and Reagents
  • Mutagens
  • Mutation Data
  • Noxae
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 10 lb
  • Threshold Planning Quantity (TPQ) = 500 lb

Names and Synonyms

Name of Substance

  • 1,2:3,4-Diepoxybutane
  • Erythritol anhydride

Synonyms

  • 1,1'-Bi(ethylene oxide)
  • 1,2:3,4-Butadiene diepoxide
  • 1,2:3,4-Diepoxybutane
  • 1,3-Butadiene diepoxide
  • 2,2'-Bioxirane
  • 5-19-01-00185 (Beilstein Handbook Reference)
  • AI3-26592
  • Bioxiran
  • Bioxirane
  • BRN 0079833
  • Butadiendioxyd
  • Butadiendioxyd [German]
  • Butadiene diepoxide
  • Butadiene dioxide
  • Butane diepoxide
  • CB 1181
  • CCRIS 234
  • Diepoxybutane
  • Dioxybutadiene
  • EINECS 215-979-1
  • ENT-26592
  • HSDB 4046
  • M 8838
  • NSC 629
  • R 181
  • RCRA waste number U085
  • Threitol, 1,2:3,4-dianhydro-
  • UNII-60OB65YNAB

Systematic Names

  • 1,2,3,4-Diepoxybutane
  • 2,2'-Bioxirane
  • Butane, 1,2:3,4-diepoxy-

Superlist Names

  • 1,2:3,4-Diepoxybutane
  • 2,2'-Bioxirane
  • Diepoxybutane
  • RCRA waste no. U085

Registry Numbers

CAS Registry Number

  • 1464-53-5

FDA UNII

  • 60OB65YNAB

System Generated Number

  • 0001464535

Structure Descriptors

InChI

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

InChIKey

ZFIVKAOQEXOYFY-UHFFFAOYSA-N

Smiles

C1[C@@H]([C@@H]2CO2)O1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 31mg/kg (31mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 559, 1957.
mouse LD50 oral 72mg/kg (72mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 2, 1961.
rabbit LD50 skin 89uL/kg (0.089mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LC50 inhalation 90ppm/4H (90ppm)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 2, 1961.
rat LD50 oral 78mg/kg (78mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 4 deg C   EXP
Boiling Point 144 deg C   EXP
log P (octanol-water) -0.28 (none)   EXP
Water Solubility 1.00E+06 mg/L   EXP
Vapor Pressure 39 mm Hg 20 EXP
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.