Isobutyl hexanoate

  • Identifiers

    CAS number
    105-79-3

    Molecular formula
    C10H20O2

    SMILES
    CCCCCC(=O)OCC(C)C

    Retention indicies (RI)

    • Carbowax: 1350.0

  • Odor profile

    fruity 97.29%
    green 73.25%
    apple 73.24%
    pineapple 65.07%
    sweet 60.06%
    winey 57.68%
    banana 55.56%
    tropical 50.26%
    ripe 45.83%
    pear 45.22%

    Scent© AI

  • Properties

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

    Molecular weight
    172.26 g/mol

    Solubilities

    • 1 ml in 2 ml 80% alcohol (in ethanol)

  • Synonyms

    • Isobutyl hexanoate
    • 105-79-3
    • Isobutyl caproate
    • 2-METHYLPROPYL HEXANOATE
    • Hexanoic acid, 2-methylpropyl ester
    • Hexanoic acid, isobutyl ester
    • FEMA No. 2202
    • Isobutyl caproate (natural)
    • 2-Methyl-1-propyl caproate
    • n-Caproic acid isobutyl ester
    • EINECS 203-332-6
    • UNII-2A3X4W9GZ0
    • 2A3X4W9GZ0
    • iso-Butyl n-hexanoate
    • AI3-24254
    • DTXSID0059322
    • ISOBUTYL HEXANOATE [FCC]
    • CHEBI:87421
    • FEMA 2202
    • ISOBUTYL HEXANOATE [FHFI]
    • Hexanoic Acid Isobutyl Ester
    • Isobutylhexanoate
    • MFCD00048870
    • Isobutyl caproic acid
    • 2-Methylpropyl hexanoic acid
    • SCHEMBL129293
    • Hexanoate 2-methylpropyl ester
    • CHEMBL4647902
    • DTXCID3032919
    • hexanoic acid 2-methylpropyl ester
    • Isobutyl hexanoate, >=98%, FG
    • LMFA07010729
    • Isobutyl hexanoate, natural, >=95%
    • AKOS015904122
    • CS-W010767
    • AS-75504
    • H0110
    • NS00012679
    • Q27159615
    • 203-332-6
1 4

Botanical

Name CAS Botanical Proportion
Michelia balansae flower headspace (China) Michelia balansae (A. DC.) Dandy, fam. Magnoliaceae 1.32%
Michelia figo flower headspace (China) Michelia figo (Lour.) Spreng, fam. Magnoliaceae 0.23%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 0.01%