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Substance Name: 1-Methylcyclohexene
RN: 591-49-1
UNII: TE4P8Q2044
InChIKey: CTMHWPIWNRWQEG-UHFFFAOYSA-N

Molecular Formula

  • C7-H12

Molecular Weight

  • 96.1718
 
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Names and Synonyms

Name of Substance

  • 1-Methylcyclohexene

Synonyms

  • 1-Methylcyclohexene
  • 3-Methyl-1-cyclohexene
  • AI3-52478
  • alpha-Methylcyclohexene
  • EINECS 209-718-0
  • NSC 66539
  • UNII-TE4P8Q2044

Systematic Names

  • 1-Methylcyclohexene
  • Cyclohexene, 1-methyl-

Registry Numbers

CAS Registry Number

  • 591-49-1

FDA UNII

  • TE4P8Q2044

System Generated Number

  • 0000591491

Structure Descriptors

InChI

1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3

InChIKey

CTMHWPIWNRWQEG-UHFFFAOYSA-N

Smiles

C=1(CCCCC1)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.20E+02 deg C   EXP
Boiling Point 110.3 deg C   EXP
log P (octanol-water) 3.510 (none)   EST
Water Solubility 52 mg/L 25 EXP
Vapor Pressure 30.6 mm Hg 25 EXP
Henry's Law Constant 0.075 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.44E-11 cm3/molecule-sec 25 EXP

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