Product Name

  • Name

    trans-4-[2-(4-Pentylcyclohexyl)ethyl]cyclohexanone

  • EINECS
  • CAS No. 121040-08-2
  • Density 0.898 g/cm3
  • Solubility
  • Melting Point 42.0 to 46.0 °C
  • Formula C19H34O
  • Boiling Point 354.253 °C at 760 mmHg
  • Molecular Weight 278.47
  • Flash Point 160.161 °C
  • Transport Information
  • Appearance colorless liquid
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 121040-08-2 (trans-4-[2-(4-Pentylcyclohexyl)ethyl]cyclohexanone)
  • Hazard Symbols
  • Synonyms Cyclohexanone,4-[2-(4-pentylcyclohexyl)ethyl]-, trans-;trans-4-[2-(4-Pentylcyclohexyl)ethyl]cyclohexanone;
  • PSA 17.07000
  • LogP 5.91260

trans-4-[2-(4-Pentylcyclohexyl)ethyl]cyclohexanone Specification

The systematic name of trans-4-[2-(4-Pentylcyclohexyl)ethyl]cyclohexanone is 4-[2-(4-Pentylcyclohexyl)ethyl]cyclohexanone. With the CAS registry number 121040-08-2, it is also named as Cyclohexanone,4-[2-(4-pentylcyclohexyl)ethyl]-, trans-. In addition, its molecular formula is C19H34O and its molecular weight is 278.47. 

The other characteristics of trans-4-[2-(4-Pentylcyclohexyl)ethyl]cyclohexanone can be summarized as: (1)ACD/LogP: 6.92; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.921; (4)ACD/LogD (pH 7.4): 6.921; (5)ACD/BCF (pH 5.5): 107105.172; (6)ACD/BCF (pH 7.4): 107105.172; (7)ACD/KOC (pH 5.5): 138649; (8)ACD/KOC (pH 7.4): 138649; (9)H bond acceptors: 1; (10)H bond donors: 0; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 86.035 cm3; (15)Molar Volume: 310.092 cm3; (16)Polarizability: 34.107×10-24cm3; (17)Surface Tension: 30.917 dyne/cm; (18)Density: 0.898 g/cm3; (19)Flash Point: 160.161 °C; (20)Enthalpy of Vaporization: 59.927 kJ/mol; (21)Boiling Point: 354.253 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:CCCCC[C@H]1CC[C@@H](CC1)CCC2CCC(=O)CC2
(2)InChI:InChI=1/C19H34O/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(20)15-13-18/h16-18H,2-15H2,1H3/t16-,17-
(3)InChIKey:ISFMATRVDNBZMP-QAQDUYKDBF
(4)Std. InChI:InChI=1S/C19H34O/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(20)15-13-18/h16-18H,2-15H2,1H3/t16-,17-
(5)Std. InChIKey:ISFMATRVDNBZMP-QAQDUYKDSA-N

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