5-Methylhexanenitrile

  • Identifiers

    CAS number
    19424-34-1

    Molecular formula
    C7H13N

    SMILES
    CC(C)CCCC#N
    N

    Retention indicies (RI)

    • DB5: 946.0
    • Carbowax: 1358.0

  • Odor profile

    green 67.78%
    fatty 53.3%
    citrus 48.86%
    floral 46.22%
    aldehydic 43.88%
    fresh 41.63%
    sweet 34.6%
    metallic 33.92%
    oily 32.24%
    waxy 32.14%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1 Well soluble in IAA, DEP, MMB

    Molecular weight
    111.18 g/mol

    Vapor pressure est.

    • 1.1226 hPa @ 20°C
    • 1.5991 hPa @ 25°C

    Evaporation rate
    Fast

  • Synonyms

    • 5-METHYLHEXANENITRILE
    • 19424-34-1
    • Hexanenitrile, 5-methyl-
    • 4-Methylpentyl cyanide
    • DTXSID00173046
    • Isohexylcyanid
    • SCHEMBL127102
    • DTXCID1095537
    • AKOS010643846
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Kohlrabi, green (seed) Brassica oleraceae var. gongylodes, fam. Brassicaceae (Cruciferae) 0.05%
Rocket leaf 1 Eruca sativa L., fam. Brassicaceae 0.26%