Myrcenyl acetate

  • Identifiers

    CAS mumber
    1118-39-4

    Molecular formula
    C12H20O2

    SMILES
    CC(=O)OC(C)(C)CCCC(=C)C=C

    Retention indicies (RI)

    • Carbowax: 1574.0

  • Properties

    XLogP3-AA
    3.6 Well soluble in BB, DEP, MMB

    Molecular weight
    196.29 g/mol

  • Synonyms

    • Myrcenyl acetate
    • 1118-39-4
    • Neobergamate
    • Pseudo linalyl acetate
    • 2-methyl-6-methylideneoct-7-en-2-yl acetate
    • 7-OCTEN-2-OL, 2-METHYL-6-METHYLENE-, ACETATE
    • (2-methyl-6-methylideneoct-7-en-2-yl) acetate
    • 7-Octen-2-ol, 2-methyl-6-methylene-, 2-acetate
    • DTXSID4047416
    • 4BS9397SE5
    • bergamyl acetate
    • Acetic acid, myrcenyl ester
    • EINECS 214-262-0
    • BRN 1768049
    • 2-Acetoxy-2-methyl-6-methylene-7-octene
    • UNII-4BS9397SE5
    • 2-Methyl-6-methylene-7-octen-2-yl acetate
    • 3-Methylene-7-methyl-1-octen-7-yl acetate
    • EINECS 273-868-3
    • Acetic acid, 2-methyl-6-methylene-7-octen-2-yl ester
    • MYRCENOL, ACETATE
    • 4-02-00-00205 (Beilstein Handbook Reference)
    • SCHEMBL1170763
    • CHEMBL3186281
    • DTXCID2027416
    • Tox21_302568
    • AKOS006272418
    • NCGC00256724-01
    • 7-Acetoxy-7-methyl-3-methylene-1-octene
    • CAS-1118-39-4
    • DS-018082
    • NS00013015
    • (2-METHYL-6-METHYLENE-7-OCTEN-2-YL) ACETATE
    • Q27259381
1 3

Botanical

Name CAS Botanical Proportion
Ambrette seed (China) 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 0.9%
Thyme (France) 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 6.0%