Product Name

  • Name

    2-Isobutyrylcyclohexanone

  • EINECS
  • CAS No. 39207-65-3
  • Article Data9
  • CAS DataBase
  • Density 1.004 g/cm3
  • Solubility
  • Melting Point 38°C
  • Formula C10H16O2
  • Boiling Point 265.916 °C at 760 mmHg
  • Molecular Weight 168.236
  • Flash Point 98.402 °C
  • Transport Information
  • Appearance
  • Safety 26
  • Risk Codes 22-36
  • Molecular Structure Molecular Structure of 39207-65-3 (2-Isobutyrylcyclohexanone)
  • Hazard Symbols HarmfulXn
  • Synonyms 2-(2-Methylpropanoyl)cyclohexanone;
  • PSA 34.14000
  • LogP 1.97080

2-Isobutyrylcyclohexanone Specification

The CAS register number of Cyclohexanone, 2-(2-methyl-1-oxopropyl)- is 39207-65-3. It also can be called as 2-(2-Methylpropanoyl)cyclohexanone and the systematic name about this chemical is 2-(2-methylpropanoyl)cyclohexanone. The molecular formula about this chemical is C10H16O2 and the molecular weight is 168.23284. It belongs to the Heterocycles series. This chemical is harmful if swallowed and it is irritating to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Physical properties about Cyclohexanone, 2-(2-methyl-1-oxopropyl)- are: (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 79; (7)ACD/KOC (pH 7.4): 79; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 34.14Å2; (11)Index of Refraction: 1.464; (12)Molar Refractivity: 46.231 cm3; (13)Molar Volume: 167.592 cm3; (14)Polarizability: 18.327x10-24cm3; (15)Surface Tension: 34.862 dyne/cm; (16)Enthalpy of Vaporization: 50.387 kJ/mol; (17)Boiling Point: 265.916 °C at 760 mmHg; (18)Vapour Pressure: 0.009 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCC1C(=O)C(C)C
(2)InChI: InChI=1/C10H16O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h7-8H,3-6H2,1-2H3
(3)InChIKey: PFOYYSGBGILOQZ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H16O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h7-8H,3-6H2,1-2H3
(5)Std. InChIKey: PFOYYSGBGILOQZ-UHFFFAOYSA-N

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