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Substance Name: 4-Phenylcyclohexanone
RN: 4894-75-1
InChIKey: YKAYMASDSHFOGI-UHFFFAOYSA-N

Molecular Formula

  • C12-H14-O

Molecular Weight

  • 174.242
 
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Names and Synonyms

Synonym

  • EINECS 225-517-0

Systematic Name

  • 4-Phenylcyclohexanone

Registry Numbers

CAS Registry Number

  • 4894-75-1

System Generated Number

  • 0004894751

Structure Descriptors

InChI

1S/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2

InChIKey

YKAYMASDSHFOGI-UHFFFAOYSA-N

Smiles

c1ccccc1C1CCC(=O)CC1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 78-81 deg C   EXP
log P (octanol-water) 2.3 (none)   EXP
Water Solubility 638 mg/L 25 EST
Vapor Pressure 2.33E-03 mm Hg 25 EST
Henry's Law Constant 4.13E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.82E-11 cm3/molecule-sec 25 EST

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