Cas no 78987-81-2 (Cyclopropyl(2,5-dimethylphenyl)methanol)

Cyclopropyl(2,5-dimethylphenyl)methanol structure
78987-81-2 structure
Product Name:Cyclopropyl(2,5-dimethylphenyl)methanol
CAS No:78987-81-2
MF:C12H16O
MW:176.254843711853
CID:565673
PubChem ID:98997
Update Time:2025-04-19

Cyclopropyl(2,5-dimethylphenyl)methanol Chemical and Physical Properties

Names and Identifiers

    • Cyclopropyl(2,5-dimethylphenyl)methanol
    • alpha-cyclopropyl-2,5-dimethylbenzyl alcohol
    • Benzenemethanol, a-cyclopropyl-2,5-dimethyl-
    • cyclopropyl-(2,5-dimethylphenyl)methanol
    • Α-CYCLOPROPYL-2,5-DIMETHYLBENZYL ALCOHOL
    • AC1L40KR
    • AC1Q2HRA
    • AC1Q2JGL
    • AG-H-16594
    • CTK5E6312
    • NSC163151
    • AKOS009158739
    • alpha-Cyclopropyl-2,5-dimethylbenzenemethanol
    • CS-0368243
    • SB85234
    • 78987-81-2
    • EINECS 279-034-5
    • MFCD00019250
    • NS00061440
    • CYCLOPROPYL 2,5-DIMETHYLPHENYL CARBINOL
    • NSC-163151
    • DTXSID301269569
    • NSC 163151
    • MDL： MFCD00019250
    • Inchi： 1S/C12H16O/c1-8-3-4-9(2)11(7-8)12(13)10-5-6-10/h3-4,7,10,12-13H,5-6H2,1-2H3
    • InChI Key： XNVLDOQNXQCBPD-UHFFFAOYSA-N
    • SMILES： OC(C1C=C(C)C=CC=1C)C1CC1

Computed Properties

  • Exact Mass: 176.12018
  • Monoisotopic Mass: 176.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 174
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2A^2
  • XLogP3: 2.5

Experimental Properties

  • Color/Form: No data available
  • Density: 1.1±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 287.1±9.0 °C at 760 mmHg
  • Flash Point: 123.8±14.5 °C
  • Refractive Index: 1.582
  • PSA: 20.23
  • LogP: 2.74680
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

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