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Substance Name: 3-Methylcyclohexene
RN: 591-48-0
UNII: 7X3KTM424G
InChIKey: UZPWKTCMUADILM-UHFFFAOYSA-N

Molecular Formula

  • C7-H12

Molecular Weight

  • 96.1718
 
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Names and Synonyms

Name of Substance

  • 3-Methylcyclohexene

Synonyms

  • 3-Methyl-1-cyclohexene
  • 3-Methylcyclohexene
  • EINECS 209-717-5
  • NSC 72091
  • UNII-7X3KTM424G

Systematic Names

  • 3-Methylcyclohexene
  • Cyclohexene, 3-methyl-

Registry Numbers

CAS Registry Number

  • 591-48-0

FDA UNII

  • 7X3KTM424G

Other Registry Number

  • 56688-75-6

System Generated Number

  • 0000591480

Structure Descriptors

InChI

1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3

InChIKey

UZPWKTCMUADILM-UHFFFAOYSA-N

Smiles

C1[C@@H](C=CCC1)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 103 deg C   EXP
log P (octanol-water) 3.380 (none)   EST
Water Solubility 45.4 mg/L 25 EST
Henry's Law Constant 0.088 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.29E-11 cm3/molecule-sec 25 EST

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