Product Name

  • Name

    (4-Methyl-1-cyclohex-3-enyl) benzoate

  • EINECS
  • CAS No. 6308-91-4
  • Density 1.08 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H16O2
  • Boiling Point 307.7 °C at 760 mmHg
  • Molecular Weight 216.2756
  • Flash Point 138.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 6308-91-4 ((4-Methyl-1-cyclohex-3-enyl) benzoate)
  • Hazard Symbols
  • Synonyms (4-Methylcyclohex-3-en-1-yl) benzoate;
  • PSA 26.30000
  • LogP 3.34220

(4-Methyl-1-cyclohex-3-enyl) benzoate Specification

The (4-Methyl-1-cyclohex-3-enyl) benzoate has CAS registry number 6308-91-4. This chemical's molecular formula is C14H16O2 and molecular weight is 216.2756. What's more, its IUPAC name is (4-Methylcyclohex-3-en-1-yl) benzoate.

Physical properties about (4-Methyl-1-cyclohex-3-enyl) benzoate are: (1)ACD/LogP: 4.42; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.545; (8)Molar Refractivity: 63.26 cm3; (9)Molar Volume: 199.8 cm3; (10)Polarizability: 25.08×10-24 cm3; (11)Surface Tension: 39.8 dyne/cm; (12)Density: 1.08 g/cm3; (13)Flash Point: 138.8 °C; (14)Enthalpy of Vaporization: 54.83 kJ/mol; (15)Boiling Point: 307.7 °C at 760 mmHg; (16)Vapour Pressure: 0.000713 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC1C/C=C(\CC1)C)c2ccccc2
(2) InChI: InChI=1/C14H16O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-7,13H,8-10H2,1H3
(3) InChIKey: FJHFITFUGYVWLT-UHFFFAOYAK

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