• Identifiers

    CAS number
    28664-35-9

    Molecular formula
    C6H8O3

    SMILES
    CC1C(=C(C(=O)O1)O)C
    OOOH

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1107.0
    • Carbowax: 2125.5
  • Odor profile

    caramellic 88.04%
    sweet 84.11%
    burnt 66.35%
    roasted 46.85%
    fruity 41.52%
    coffee 41.24%
    nutty 37.21%
    buttery 33.81%
    coumarinic 30.85%
    creamy 27.97%

    Scent© AI

  • Properties

    XLogP3-AA
    0.4 Well soluble in MMB, TEC, IAA

    Molecular weight
    128.13 g/mol

    Vapor pressure est.

    • 0.0027 hPa @ 20°C
    • 0.0048 hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 25.00 to 29.00 °C. @ 760.00 mm Hg

    Boiling point

    • 93.00 to 95.00 °C. @ 2.00 mm Hg

  • Synonyms

    • 28664-35-9
    • 3-Hydroxy-4,5-dimethylfuran-2(5H)-one
    • 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one
    • Sotolone
    • sotolon
    • 4,5-Dimethyl-3-hydroxy-2(5H)-furanone
    • 2(5h)-FURANONE, 3-HYDROXY-4,5-DIMETHYL-
    • Sautalone
    • Caramel furanone
    • 3-Hydroxy-4,5-dimethyl-2(5H)-furanone
NaN of -Infinity
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
Name CAS Botanical Proportion
Fenugreek 1a headspace 84625-40-1 Trigonella foenum-graecum L., fam. Leguminosae 0.05%
Fenugreek 1b steamdistillate 84625-40-1 Trigonella foenum-graecum L., fam. Leguminosae 0.05%
Fenugreek 1c extract 84625-40-1 Trigonella foenum-graecum L., fam. Leguminosae 0.05%