Cas no 13148-94-2 (2-methylcyclohex-1-ene-1-carboxylic acid)

2-methylcyclohex-1-ene-1-carboxylic acid structure
13148-94-2 structure
Product Name:2-methylcyclohex-1-ene-1-carboxylic acid
CAS No:13148-94-2
MF:C8H12O2
MW:140.179682731628
MDL:MFCD19228097
CID:1228034
PubChem ID:14387270
Update Time:2025-07-26

2-methylcyclohex-1-ene-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Cyclohexene-1-carboxylic acid, 2-methyl-
    • AKOS006377429
    • 67824-86-6
    • DTXSID201030763
    • 2-methyl-1-cyclohexene-1-carboxylic acid
    • 13148-94-2
    • 2-methylcyclohexene-1-carboxylic acid
    • 2-methyl-cyclohexene-1-carboxylic acid
    • SCHEMBL757738
    • 2-Methylcyclohex-1-ene-1-carboxylic acid
    • 2-Methylcyclohex-1-ene-1-carboxylicacid
    • EN300-301490
    • 2-methylcyclohex-1-ene-1-carboxylic acid
    • MDL: MFCD19228097
    • Inchi: 1S/C8H12O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H2,1H3,(H,9,10)
    • InChI Key: YIKQQGWDQHQECY-UHFFFAOYSA-N
    • SMILES: OC(C1=C(C)CCCC1)=O

Computed Properties

  • Exact Mass: 140.08376
  • Monoisotopic Mass: 140.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 180
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 253.1±19.0 °C at 760 mmHg
  • Flash Point: 117.2±16.2 °C
  • PSA: 37.3
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

2-methylcyclohex-1-ene-1-carboxylic acid Security Information

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