Cas no 13492-07-4 ((1R,2S)-2-(tert-Butyl)cyclohexanol)

(1R,2S)-2-(tert-Butyl)cyclohexanol structure
13492-07-4 structure
Product Name:(1R,2S)-2-(tert-Butyl)cyclohexanol
CAS No:13492-07-4
MF:C10H20O
MW:156.265203475952
CID:139158
PubChem ID:6995535
Update Time:2025-04-19

(1R,2S)-2-(tert-Butyl)cyclohexanol Chemical and Physical Properties

Names and Identifiers

    • (1R,2S)-2-(tert-Butyl)cyclohexanol
    • (-)-TRANS-2-TERT-BUTYLCYCLOHEXANOL
    • Cyclohexanol,2-(1,1-dimethylethyl)-, (1S,2R)-
    • (+)-(1S,2R)-2-(tert-butyl)cyclohexanol
    • (+)-(1S,2R)-2-hydroxy-cyclohexyl benzoate
    • (+)-(1S,2R)-2-tert-Butylcyclohexanol
    • (+)-trans-2-t-Butyl-cyclohexanol
    • (+)-trans-2-tert-Butylcyclohexanol
    • (1R,2S)-2-benzoyloxy-1-cyclohexanol
    • (1S,2R) 2-tert-butylcyclohexanol
    • (1S,2R)-2-hydroxycyclohexyl benzoate
    • (1S,2R)-benzoic acid 2-hydroxy-cyclohexyl ester
    • 1,2-Cyclohexanediol, monobenzoate, (1S,2R)-
    • 2(e)-tert.-Butyl-cyclohexan-1(e)-ol
    • CTK0E2015
    • (+)-TRANS-2-TERT-BUTYLCYCLOHEXANOL 99+%
    • Cyclohexanol, 2-(1,1-dimethylethyl)-, (1S,2R)-
    • Inchi: 1S/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/t8-,9-/m0/s1
    • InChI Key: DLTWBMHADAJAAZ-IUCAKERBSA-N
    • SMILES: O[C@H]1CCCC[C@@H]1C(C)(C)C

Computed Properties

  • Exact Mass: 156.1515
  • Monoisotopic Mass: 156.151
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 123
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2A^2
  • XLogP3: 3

Experimental Properties

  • Density: 0.92 g/cm3
  • Boiling Point: 206.9oC at 760 mmHg
  • Flash Point: 79.4oC
  • PSA: 20.23
  • LogP: 2.58360
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