Pentyl isothiocyanate

  • Identifiers

    CAS number
    32446-40-5

    Molecular formula
    C6H11NS

    SMILES
    CCCCCSC#N

    Retention indicies (RI)

    • DB5: 1062.0

  • Odor profile

    sulfurous 50.84%
    green 46.46%
    onion 45.22%
    meaty 40.3%
    vegetable 36.37%
    roasted 34.52%
    savory 34.48%
    fatty 33.19%
    garlic 32.91%
    alliaceous 32.69%

    Scent© AI

  • Properties

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

    Molecular weight
    129.23 g/mol

  • Synonyms

    • n-Amyl thiocyanate
    • pentyl thiocyanate
    • Thiocyanic acid, pentyl ester
    • 32446-40-5
    • Pentylthiocyanate
    • Thiocyanic acid, amyl ester
    • BRN 1743355
    • DTXSID30186184
    • 1-thiocyanatopentane
    • Amylrhodanid
    • SCHEMBL463143
    • DTXCID40108675
    • AKOS006273506
    • DB-226326
1 4

Botanical

Name CAS Botanical Proportion
Kohlrabi, green (seed) Brassica oleraceae var. gongylodes, fam. Brassicaceae (Cruciferae) 0.3%