Iberverin

  • Identifiers

    CAS number
    505-79-3

    Molecular formula
    C5H9NS2

    SMILES
    CSCCCN=C=S
    SNS

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1317.0
    • Carbowax: 1970.0

  • Odor profile

    pungent 78.33%
    radish 70.57%
    sulfurous 64.47%
    garlic 57.69%
    onion 56.44%
    cabbage 55.48%
    vegetable 50.89%
    alliaceous 44.35%
    sweet 38.84%
    cooked 38.83%

    Scent© AI

    Odor strength est.
    High

  • Properties

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

    Molecular weight
    147.3 g/mol

    Vapor pressure est.

    • 0.0124 hPa @ 20°C
    • 0.0201 hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Boiling point expt.

    • 254.00 °C. @ 760.00 mm Hg

    Solubility expt.

    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 3-(Methylthio)propyl isothiocyanate
    • 505-79-3
    • Iberverin
    • 3-Methylthiopropyl isothiocyanate
    • 1-Isothiocyanato-3-(methylthio)propane
    • Ibervirin
    • PROPANE, 1-ISOTHIOCYANATO-3-(METHYLTHIO)-
    • Isothiocyanic acid, 3-(methylthio)propyl ester
    • 3-Methylmercaptopropyl isothiocyanate
    • FEMA No. 3312
NaN -Infinity

IFRA Standard 51

Recommendation
No restriction

Botanical

Name CAS Botanical Proportion
Horseradish Armoracia lapathifolia Gilib., fam. Brassicaceae (Cruciferae) 0.01%
Kohlrabi, green (seed) Brassica oleraceae var. gongylodes, fam. Brassicaceae (Cruciferae) 2.6%
Rocket leaf 1 Eruca sativa L., fam. Brassicaceae 0.23%