Methyl 3-acetoxyhexanoate

  • Identifiers

    CAS number
    77118-93-5

    Molecular formula
    C9H16O4

    SMILES
    CCC[C@H](CC(=O)OC)OC(=O)C

    Retention indicies (RI)

    • Carbowax: 1674.0

  • Odor profile

    fruity 93.77%
    green 75.05%
    apple 57.0%
    sweet 51.95%
    winey 50.49%
    tropical 48.27%
    fresh 42.45%
    pineapple 41.92%
    banana 34.68%
    grape 33.4%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3 Well soluble in MMB, DEP, TEC

    Molecular weight
    188.22 g/mol

  • Synonyms

    • Methyl R-3-acetoxyhexanoate
    • 77118-93-5
    • ZV2XBH5CBD
    • Methyl 3-acetoxyhexanoate, (R)-
    • EINECS 278-626-0
    • methyl (3R)-3-acetyloxyhexanoate
    • UNII-ZV2XBH5CBD
    • Hexanoic acid, 3-(acetyloxy)-, methyl ester, (R)-
    • DTXSID601230999
    • Hexanoic acid, 3-(acetyloxy)-, methyl ester (R)-
    • SCHEMBL20269331
    • ODICPWSNEYHYSJ-MRVPVSSYSA-N
    • DTXCID101662218
    • NS00089271
    • 278-626-0
1 4

Botanical

Name CAS Botanical Proportion
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.45%