(3-cyclohexylcyclohexyl)benzene

• ChemBase ID: 152692
• Molecular Formular: C18H26
• Molecular Mass: 242.39904
• Monoisotopic Mass: 242.20345083
• SMILES: c1ccc(cc1)C1CCCC(C1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)C1CCCC(C1)c1ccccc1
• InChI: 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
• InChIKey: ONQUBGYEUGJCEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-cyclohexylcyclohexyl)benzene
• IUPAC Traditional name: (3-cyclohexylcyclohexyl)benzene
• Synonyms: 1-Cyclohexyl-3-phenylcyclohexane; 3-Phenylbicyclohexyl; 1-环己基-3-苯基环己烷; 3-苯基双环己烷

Database IDs

• CAS Number: 33460-02-5
• MDL Number: MFCD01863105
• Beilstein Number: 2264721
• PubChem SID: 162246835; 24887269
• PubChem CID: 4146024

CALCULATED PROPERTIES

• Molar Refractivity: 77.9486 cm^3
• Polarizability: 30.981766 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.976822
• LogD (pH = 7.4): 5.976822
• Log P: 5.976822

PROPERTIES

Physical Property

• Flash Point: 109 °C; 228.2 °F
• Density: 1.004 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.573

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Compostion: hydrogenation percentage, 30-35%; meta-compound percentage, 57-69%
• Empirical Formula (Hill Notation): C18H26

DETAILS

Sigma Aldrich - 78174

Application
as high-heating carrier liquid
Packaging
1 L in glass bottle