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(4-tert-Butylcyclohexyl)methanol

  • Name (4-tert-Butylcyclohexyl)methanol
  • EINECS243-976-5
  • CAS No. 20691-53-6
  • Density0.89 g/cm3
  • PSA20.23000
  • LogP2.83120
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC11H22O
  • Boiling Point227.5 °C at 760 mmHg
  • Molecular Weight170.295
  • Flash Point97.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 20691-53-6 (4-tert-butylcyclohexylmethanol)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data27

(4-tert-Butylcyclohexyl)methanol Specification

This product's IUPAC name is (4-tert-Butylcyclohexyl)methanol, with the CAS registry number of 20691-53-6. It is also named as 4-tert-Butylcyclohexanemethanol. Its EINECS registry number is 243-976-5. This chemical's molecular formula is C11H22O and molecular weight is 170.29178.

Physical properties about (4-tert-Butylcyclohexyl)methanol are: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 316.4; (6)ACD/BCF (pH 7.4): 316.4; (7)ACD/KOC (pH 5.5): 2144.25; (8)ACD/KOC (pH 7.4): 2144.25; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 52.09 cm3; (15)Molar Volume: 191.2 cm3; (16)Polarizability: 20.65×10-24 cm3; (17)Surface Tension: 30.7 dyne/cm; (18)Density: 0.89 g/cm3; (19)Flash Point: 97.8 °C; (20)Enthalpy of Vaporization: 53.95 kJ/mol; (21)Boiling Point: 227.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0151 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC1CCC(C(C)(C)C)CC1
(2) InChI: InChI=1/C11H22O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h9-10,12H,4-8H2,1-3H3
(3) InChIKey: GGWBQKOXLMPNMS-UHFFFAOYAY

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