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Substance Name: 2-Methyl-1,2-epoxypropane
RN: 558-30-5
InChIKey: GELKGHVAFRCJNA-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H8-O

Molecular Weight

  • 72.1062
 
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Names and Synonyms

Name of Substance

  • 2-Methyl-1,2-epoxypropane

Synonyms

  • 1,1-Dimethylethylene oxide
  • 1,2-Epoxy-2-methylpropane
  • 1,2-Epoxyisobutane
  • 1,2-Isobutylene oxide
  • 2,2-Dimethyloxirane
  • 2-Methyl-1,2-epoxypropane
  • 2-Methyl-1-propene oxide
  • 5-17-01-00058 (Beilstein Handbook Reference)
  • BRN 0102408
  • CCRIS 4380
  • EC 209-193-8
  • EINECS 209-193-8
  • Isobutene oxide
  • Isobutylene epoxide
  • Isobutylene oxide
  • Isobutyleneoxide
  • NSC 24249

Systematic Names

  • 2,2-Dimethyloxirane
  • 2-Methyl-1,2-epoxypropane
  • Oxirane, 2,2-dimethyl-
  • Propane, 1,2-epoxy-2-methyl-

Registry Numbers

CAS Registry Number

  • 558-30-5

System Generated Number

  • 0000558305

Structure Descriptors

InChI

1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3

InChIKey

GELKGHVAFRCJNA-UHFFFAOYSA-N

Smiles

C1(CO1)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 3890mg/kg (3890mg/kg)   National Technical Information Service. Vol. OTS0535430,
rat LD50 skin > 4gm/kg (4000mg/kg)   National Technical Information Service. Vol. OTS0535430,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 52 deg C   EXP
log P (octanol-water) 0.830 (none)   EST
Water Solubility 5.80E+04 mg/L 20 EXP
Vapor Pressure 387 mm Hg 25 EST
Henry's Law Constant 2.12E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.35E-12 cm3/molecule-sec 25 EST

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