4-Methylpentanenitrile

  • Identifiers

    CAS number
    542-54-1

    Molecular formula
    C6H11N

    SMILES
    CC(C)CCC#N

    Retention indicies (RI)

    • DB5: 848.0

  • Odor profile

    green 64.19%
    fatty 43.91%
    floral 37.38%
    citrus 36.23%
    aldehydic 33.37%
    fresh 32.7%
    oily 29.4%
    spicy 28.79%
    metallic 28.58%
    sweet 27.55%

    Scent© AI

  • Properties

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

    Molecular weight
    97.16 g/mol

  • Synonyms

    • Isocapronitrile
    • 4-Methylpentanenitrile
    • 542-54-1
    • Isoamyl cyanide
    • Pentanenitrile, 4-methyl-
    • 4-Methylvaleronitrile
    • Valeronitrile, 4-methyl-
    • Isopentyl cyanide
    • Isoamylkyanid
    • UNII-J6BD44GTPJ
    • J6BD44GTPJ
    • NSC 6109
    • EINECS 208-817-6
    • BRN 1698246
    • 3-Methylbutyl cyanide
    • 4-Methylpentanonitrile
    • NSC-6109
    • ISOAMYL CYANIDE [MI]
    • DTXSID2060256
    • 4-02-00-00946 (Beilstein Handbook Reference)
    • Isoamylkyanid [Czech]
    • isocapronitril
    • 4Methylvaleronitrile
    • 4Methylpentanenitrile
    • MFCD00001967
    • Valeronitrile, 4methyl
    • 4-methyl-pentanenitrile
    • Pentanenitrile, 4methyl
    • WLN: NC2Y1&1
    • DTXCID6041630
    • NSC6109
    • CHEBI:229300
    • AKOS000148339
    • DB-013365
    • M0458
    • NS00033016
    • EN300-43445
    • F17038
    • Q24819169
1 4

Botanical

Name CAS Botanical Proportion
Kohlrabi, green (seed) Brassica oleraceae var. gongylodes, fam. Brassicaceae (Cruciferae) 0.05%