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(2-Methyl-5-propan-2-yl-cyclohexyl) acetate

  • Name (2-Methyl-5-propan-2-yl-cyclohexyl) acetate
  • EINECSN/A
  • CAS No. 7460-78-8
  • Density0.92 g/cm3
  • PSAN/A
  • LogPN/A
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC12H22O2
  • Boiling Point229.1 °C at 760 mmHg
  • Molecular Weight198.3019
  • Flash Point94.4 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 7460-78-8 ((2-Methyl-5-propan-2-yl-cyclohexyl) acetate)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data3

(2-Methyl-5-propan-2-yl-cyclohexyl) acetate Specification

The IUPAC name of this product is (2-Methyl-5-propan-2-yl-cyclohexyl) acetate, and its CAS registry number is 7460-78-8. It is also named as 2-Methyl-5-(propan-2-yl)cyclohexyl acetate. This chemical's molecular formula is C12H22O2 and molecular weight is 198.3019.

Physical properties about (2-Methyl-5-propan-2-yl-cyclohexyl) acetate are: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.1; (4)ACD/LogD (pH 7.4): 4.1; (5)ACD/BCF (pH 5.5): 768.43; (6)ACD/BCF (pH 7.4): 768.43; (7)ACD/KOC (pH 5.5): 4046.83; (8)ACD/KOC (pH 7.4): 4046.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 57.32 cm3; (15)Molar Volume: 213.9 cm3; (16)Polarizability: 22.72×10-24 cm3; (17)Surface Tension: 29.4 dyne/cm; (18)Density: 0.92 g/cm3; (19)Flash Point: 94.4 °C; (20)Enthalpy of Vaporization: 46.57 kJ/mol; (21)Boiling Point: 229.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0707 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC1CC(CCC1C)C(C)C)C
(2) InChI: InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3
(3) InChIKey: JAKFDYGDDRCJLY-UHFFFAOYAJ

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