Methyl 5-acetoxyhexanoate

  • Identifiers

    CAS number
    35234-22-1

    Molecular formula
    C9H16O4

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

    Retention indicies (RI)

    • Carbowax: 1697.0

  • Odor profile

    fruity 93.76%
    apple 42.25%
    sweet 41.85%
    winey 41.01%
    tropical 36.41%
    ethereal 36.3%
    pineapple 33.88%
    fresh 33.84%
    green 32.53%
    grape 32.13%

    Scent© AI

  • Properties

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

    Molecular weight
    188.22 g/mol

    Solubilities

    • Soluble in non-polar solvents; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Methyl 5-acetoxyhexanoate
    • 35234-22-1
    • methyl 5-acetyloxyhexanoate
    • (+/-)-Methyl 5-acetoxyhexanoate
    • FEMA no. 4055
    • 9EO0I65AAO
    • Methyl hexanoate, 5-acetoxy
    • (+/-)-Methyl 5-acetoxyhexanoate [FHFI]
    • UNII-9EO0I65AAO
    • Hexanoic acid, 5-(acetyloxy)-, methyl ester
    • delta-Acetoxycaproic acid methyl ester
    • methyl 5-(acetyloxy)hexanoate
    • methyl-5-acetoxyhexanoate
    • .DELTA.-ACETOXYCAPROIC ACID METHYL ESTER
    • METHYL5-ACETOXYHEXANOATE
    • SCHEMBL18339136
    • DTXSID00956674
    • CHEBI:165636
    • XZGQJRXRXRYNRI-UHFFFAOYSA-N
    • LMFA07010697
    • NS00126806
    • Q27272450
1 4

Botanical

Name CAS Botanical Proportion
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 1.06%