5-(Methylsulfanyl)pentanenitrile

  • Identifiers

    CAS number
    59121-25-4

    Molecular formula
    C6H11NS

    SMILES
    CSCCCCC#N
    SN

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1211.0
    • Carbowax: 1926.0

  • Odor profile

    meaty 40.72%
    fatty 38.96%
    sweet 35.87%
    sulfurous 34.93%
    floral 33.82%
    metallic 32.97%
    vegetable 32.59%
    onion 32.15%
    savory 29.93%
    cabbage 29.89%

    Scent© AI

  • Properties

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

    Molecular weight
    129.23 g/mol

    Vapor pressure est.

    • 0.0173 hPa @ 20°C
    • 0.0277 hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

  • Synonyms

    • 5-(Methylsulfanyl)pentanenitrile
    • 59121-25-4
    • 5-methylsulfanylpentanenitrile
    • 5-(Methylthio)pentanenitrile
    • 1-Cyano-4-(methylthio)butane
    • Pentanenitrile, 5-(methylthio)-
    • 5-(methylthio)-valeronitrile,5-(methylthio)-pentanenitrile,1-cyano-4-(methylthio)butane,5-methylthiopentanenitrile
    • 5-methylthiopentanenitrile
    • DTXSID50974560
    • 4-Methylthiobutylcyanid
NaN -Infinity
Request a quote

IFRA Standard 51

Recommendation
No restriction

Botanical

Name CAS Botanical Proportion
Kohlrabi, green (seed) Brassica oleraceae var. gongylodes, fam. Brassicaceae (Cruciferae) 3.4%
Rocket leaf 1 Eruca sativa L., fam. Brassicaceae 11.25%
Rocket leaf 2 headspace Eruca sativa L., fam. Brassicaceae 5.0%