Cas no 33460-02-5 (Benzene,(1R,3S)-[1,1'-bicyclohexyl]-3-yl-, rel-)

Benzene,(1R,3S)-[1,1'-bicyclohexyl]-3-yl-, rel- structure
33460-02-5 structure
Product Name:Benzene,(1R,3S)-[1,1'-bicyclohexyl]-3-yl-, rel-
CAS No:33460-02-5
MF:C18H26
MW:242.399045467377
CID:294247
PubChem ID:57652730
Update Time:2025-04-19

Benzene,(1R,3S)-[1,1'-bicyclohexyl]-3-yl-, rel- Chemical and Physical Properties

Names and Identifiers

    • Benzene,(1R,3S)-[1,1'-bicyclohexyl]-3-yl-, rel-
    • (3-cyclohexylcyclohexyl)benzene
    • 3-PHENYLBICYCLOHEXYL MIXTURE OF ISOMERS
    • 1-Cyclohexyl-3-phenylcyclohexane
    • 3-Phenylbicyclohexyl
    • Bicyclohexyl, 3-phenyl-
    • 37A5S13V6M
    • (1,1'-Bicyclohexyl)-3-yl-benzene
    • Benzene, (1,1'-bicyclohexyl)-3-yl-
    • DTXSID50399895
    • 20273-26-1
    • 3-Phenyl-1,1'-bi(cyclohexane)
    • UNII-37A5S13V6M
    • 33460-02-5
    • MDL: MFCD01863105
    • Inchi: 1S/C18H26/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1,3-4,8-9,16-18H,2,5-7,10-14H2
    • InChI Key: ONQUBGYEUGJCEM-UHFFFAOYSA-N
    • SMILES: C1(CCCC(C2C=CC=CC=2)C1)C1CCCCC1

Computed Properties

  • Exact Mass: 242.20300
  • Monoisotopic Mass: 242.203
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 232
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.9
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.004?g/mL?at 20?°C(lit.)
  • Boiling Point: 350°C at 760 mmHg
  • Flash Point: Degrees Fahrenheit:228.2°F
    Degrees Celsius:109°C
  • Refractive Index: n20/D 1.573
  • PSA: 0.00000
  • LogP: 5.54070

Benzene,(1R,3S)-[1,1'-bicyclohexyl]-3-yl-, rel- Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Safety Instruction: S23; S24/25
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