Hexyl (iso/n)-pentanoate

  • Identifiers

    CAS number
    1117-59-5

    Molecular formula
    C11H22O2

    SMILES
    CCCCCCOC(=O)CCCC

    Retention indicies (RI)

    • Carbowax: 1498.0

  • Odor profile

    fruity 96.34%
    green 84.76%
    apple 70.0%
    sweet 62.79%
    winey 58.24%
    pineapple 54.26%
    banana 52.9%
    tropical 49.6%
    waxy 49.26%
    oily 47.43%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8 Well soluble in BB, DEP, IPM

    Molecular weight
    186.29 g/mol

  • Synonyms

    • Hexyl valerate
    • Hexyl pentanoate
    • Hexyl n-valerate
    • 1117-59-5
    • Hexyl valerianate
    • Pentanoic acid, hexyl ester
    • 1-Hexyl n-valerate
    • Valeric acid, hexyl ester
    • n-Hexyl valerate
    • 1-hexyl pentanoate
    • Pentanoic acid, hexylester
    • 4223QQU9RL
    • EINECS 214-248-4
    • NSC 21861
    • NSC-21861
    • UNII-4223QQU9RL
    • AI3-30516
    • DTXSID3061502
    • 1Hexyl nvalerate
    • Hexyl valeric acid
    • Hexyl pentanoic acid
    • pentanoic acid hexyl ester
    • SCHEMBL128125
    • DTXCID7033236
    • NSC21861
    • DB-319654
    • NS00021522
    • Q63396152
1 4

Botanical

Name CAS Botanical Proportion
Mentha spicata (Greece) Chemotype IV Mentha spicata L. (Chemotype IV), fam Lamiaceae (Labiatae) 4.25%
Mentha rotundifolia (Greece) 2 Mentha rotundifolia (L.) Hudson (Chemotype II), fam. Lamiaceae (Labiatae) 1.89%
Pennyroyal 1 8013-99-8 Mentha pulegium L., fam. Lamiaceae (Labiatae) 0.25%
Pennyroyal 2 8013-99-8 Mentha pulegium L. (C.R. variety), fam. Lamiaceae (Labiatae) 1.43%
Peppermint (USA) 3 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 2.4%
Peppermint (Greece) 1 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 4.0%
Spike lavender (Spain) 5 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.19%