Cas no 89-49-6 (Cyclohexanol,5-methyl-2-(1-methylethenyl)-, 1-acetate)

Cyclohexanol,5-methyl-2-(1-methylethenyl)-, 1-acetate structure
89-49-6 structure
Product Name:Cyclohexanol,5-methyl-2-(1-methylethenyl)-, 1-acetate
CAS No:89-49-6
MF:C12H20O2
MW:196.286004066467
CID:723518
PubChem ID:494311
Update Time:2024-03-01

Cyclohexanol,5-methyl-2-(1-methylethenyl)-, 1-acetate Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanol,5-methyl-2-(1-methylethenyl)-, 1-acetate
    • 1-Methyl-4-isopropenylcyclohexan-3-yl acetate
    • 2-Isopropenyl-5-methylcyclohexyl acetate
    • acetic acid p-menth-8-en-3-yl ester
    • dl-Isopulegyl-acetat
    • Essigsaeure-<2-isopropenyl-5-methyl-cyclohexylester>
    • Essigsaeure-p-menth-8-en-3-ylester
    • Isopropenylcyclohexan-3-ol acetate
    • Isopulegol acetate
    • Isopulegyl acetate
    • neo-iso-isopulegol acetate
    • neo-isopulegol acetate
    • p-Menth-8-en-3-yl acetate
    • Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate (9CI)
    • p-Menth-8-en-3-ol, acetate (8CI)
    • DTXSID60861679
    • AKOS024286269
    • Cyclohexanol, 5-methyl-2-(1-methylethenyl), acetate
    • (2-isopropenyl-5-methyl-cyclohexyl) acetate
    • NS00012774
    • 5-methyl-2-(prop-1-en-2-yl)cyclohexyl acetate
    • SCHEMBL560314
    • Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate, [1R-(1.alpha.,2.beta.,5.alpha.)]-
    • Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate
    • isopulegylacetat
    • ISOPULEGOLACETATE
    • (5-methyl-2-prop-1-en-2-ylcyclohexyl) acetate
    • Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate, (1R,2S,5R)-
    • 5-Methyl-2-(1-methylethenyl)cyclohexanol acetate
    • 89-49-6
    • (-)-Isopulegyl acetate
    • AI3-02180
    • HLHIVJRLODSUCI-UHFFFAOYSA-N
    • FT-0691720
    • Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate, {[1R-(1.alpha.,2.beta.,5.alpha.)]-}
    • NSC403868
    • Inchi: 1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3
    • InChI Key: HLHIVJRLODSUCI-UHFFFAOYSA-N
    • SMILES: O=C(C)OC1C(C(C)=C)CCC(C)C1

Computed Properties

  • Exact Mass: 196.14600
  • Monoisotopic Mass: 196.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 233
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.5
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Color/Form: Colorless Transparent Liquid
  • Density: 0.925?g/mL?at 25?°C(lit.)
  • Boiling Point: 104-105?°C10?mm Hg(lit.)
  • Flash Point: 186?°F
  • Refractive Index: n20/D 1.456(lit.)
  • PSA: 26.30000
  • LogP: 2.93040
  • Solubility: Not determined

Cyclohexanol,5-methyl-2-(1-methylethenyl)-, 1-acetate Security Information

  • WGK Germany:3
  • Safety Instruction: S24/25

Cyclohexanol,5-methyl-2-(1-methylethenyl)-, 1-acetate Production Method

Production Method 1

Reaction Conditions
Reference
Isopulegone and the pyrolysis of isoamylisopulegol
Doeuvre, J., Bulletin de la Societe Chimique de France, 1933, 53, 589-96

Production Method 2

Reaction Conditions
1.1 Solvents: Water ;  60 h, 25 °C
Reference
Bio-inspired surfactants capable of generating plant volatiles
Bhadani, Avinash; Rane, Jayant; Veresmortean, Cristina; Banerjee, Sanjoy; John, George, Soft Matter, 2015, 11(15), 3076-3082

Cyclohexanol,5-methyl-2-(1-methylethenyl)-, 1-acetate Raw materials

Cyclohexanol,5-methyl-2-(1-methylethenyl)-, 1-acetate Preparation Products

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