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Substance Name: 2-(1-Cyclohexenyl)cyclohexanone
RN: 1502-22-3
UNII: KLP9AR22U2
InChIKey: GVNVAWHJIKLAGL-UHFFFAOYSA-N

Molecular Formula

  • C12-H18-O

Molecular Weight

  • 178.273
 
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Names and Synonyms

Name of Substance

  • 2-(1-Cyclohexenyl)cyclohexanone

Synonyms

  • 2-(1-Cyclohexen-1-yl)cyclohexanone
  • 2-(Cyclohex-1-enyl)cyclohexanone
  • 2-Cyclohexenylcyclohexanone
  • AI3-28148
  • CHCH
  • EINECS 216-120-3
  • NSC 518776
  • UNII-KLP9AR22U2

Systematic Names

  • 2-(1-Cyclohexen-1-yl)cyclohexan-1-one
  • Cyclohexanone, 2-(1-cyclohexen-1-yl)-

Registry Numbers

CAS Registry Number

  • 1502-22-3

FDA UNII

  • KLP9AR22U2

System Generated Number

  • 0001502223

Structure Descriptors

InChI

1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2

InChIKey

GVNVAWHJIKLAGL-UHFFFAOYSA-N

Smiles

C1([C@@H]2C(=O)CCCC2)=CCCCC1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.80E+01 deg C   EXP
Boiling Point 265 deg C   EXP
log P (octanol-water) 3.17 (none)   EXP
Water Solubility 300 mg/L 25 EXP
Vapor Pressure 6.37E-03 mm Hg 25 EST
Henry's Law Constant 1.28E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.05E-10 cm3/molecule-sec 25 EST

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