S-Prenyl thioisopentanoate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C10H18OS

    SMILES
    CC(C)CC(=O)SCC=C(C)C
    OS

    Safety labels

    Irritant
    Irritant

  • Odor profile

    fruity 85.49%
    sulfurous 84.67%
    tropical 81.06%
    green 51.14%
    herbal 44.28%
    black currant 42.44%
    cheesy 41.27%
    vegetable 39.26%
    grapefruit 35.49%
    onion 33.41%

    Scent© AI

  • Properties

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

    Molecular weight
    186.32 g/mol

    Vapor pressure est.

    • 0.0313 hPa @ 20°C
    • 0.0497 hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    237°C

  • Synonyms

    • S-PRENYL THIOISOPENTANOATE
    • 75631-91-3
    • 701V2T2HQ7
    • UNII-701V2T2HQ7
    • Butanethioic acid, 3-methyl-, S-(3-methyl-2-butenyl) ester
    • Butanethioic acid, 3-methyl-, S-(3-methyl-2-buten-1-yl) ester
    • PRENYL THIOISOVALERATE
    • FEMA NO. 4761
    • S-(3-Methylbut-2-en-1-yl) 3-methylbutanethioate
    • S-3-METHYLBUT-2-ENYL 3-METHYLBUTANETHIOATE
NaN -Infinity

IFRA Standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Agathosma apiculata Agathosma apiculata G.F.W. Mey, fam. Diosmeae (Rutaceae) 4.6%
Agathosma clavisepala Agathosma clavisepala R.A. Dyer, fam. Diosmeae (Rutaceae) 7.1%
Agathosma puberula Agathosma puberula Fourcade, fam. Diosmeae (Rutaceae) 0.9%
Agathosma rosmarinifolia Agathosma rosmarinifolia (Bartl.) Williams, fam. Diosmea (Rutaceae) 17.7%
Empleurum fragrans Empleurum fragrans Glover, fam. Diosmeae 1.6%
Phyllosma capensis Phyllosma capensis Bolus, fam. Diosmeae 5.9%