Setariol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    142942-85-6

    Molecular formula
    C27H42O3

    SMILES
    CC(CCCC(=C)C1CCC2(C1(CCC34C2=CCC5C3(C4)CCC(C5)O)C)O)CO

    Safety labels

  • Odor profile

    Fragrance
    Woody 71.94%
    Sandalwood 48.77%
    Amber 41.8%
    Balsamic 37.62%
    Dry 30.99%
    Cedar 30.92%
    Animal 29.98%
    Sweet 29.65%
    Musk 28.96%
    Clean 27.93%

     

    Flavor
    Woody 33.46%
    Herbal 32.51%
    Bitter 31.81%
    Fresh 28.97%
    Herb 26.67%
    Spicy 24.99%
    Balsam 24.8%
    Wood 24.09%
    Earthy 23.58%
    Fruity 22.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.85 (weak base)

    Molecular weight
    414.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    133°C

    Melting point expt.

    • 270 - 271 °C

    Flash point

    • 215.89 ˚C est.

  • Synonyms

    • Setariol
    • 9,19-Cyclocholesta-7,20-diene-3,14,26-triol
    • DTXSID001319169
    • 142942-85-6
    • 142942-85-6

  • Applications

    Setariol (CAS 142942-85-6) may be used as a fragrance ingredient and fixative in perfumery; may function as a solvent or processing aid in cosmetics and personal care formulations; may be considered as a solvent or intermediate in industrial manufacturing (e.g., coatings and inks); can serve as an intermediate in organic synthesis; and its applicability to polymers or coatings should be evaluated on a case-by-case basis and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.52
    methanol 6.32
    isopropanol 6.35
    water 0.03
    ethyl acetate 4.37
    n-propanol 6.3
    acetone 5.21
    n-butanol 7.83
    acetonitrile 1.43
    DMF 8.25
    toluene 2.65
    isobutanol 4.27
    1,4-dioxane 10.56
    methyl acetate 2.39
    THF 17.42
    2-butanone 4.61
    n-pentanol 3.85
    sec-butanol 2.33
    n-hexane 0.09
    ethylene glycol 1.1
    NMP 5.68
    cyclohexane 0.15
    DMSO 6.54
    n-butyl acetate 4.86
    n-octanol 2.83
    chloroform 8.07
    n-propyl acetate 2.96
    acetic acid 5.36
    dichloromethane 3.94
    cyclohexanone 8.34
    propylene glycol 1.75
    isopropyl acetate 6.03
    DMAc 10.8
    2-ethoxyethanol 11.22
    isopentanol 6.93
    n-heptane 0.14
    ethyl formate 2.11
    1,2-dichloroethane 2.52
    n-hexanol 4.87
    2-methoxyethanol 19.22
    isobutyl acetate 3.64
    tetrachloromethane 1.48
    n-pentyl acetate 7.08
    transcutol 43.31
    n-heptanol 5.07
    ethylbenzene 1.29
    MIBK 7.11
    2-propoxyethanol 23.63
    tert-butanol 5.1
    MTBE 3.2
    2-butoxyethanol 18.86
    propionic acid 2.9
    o-xylene 1.56
    formic acid 2.59
    diethyl ether 3.59
    m-xylene 2.31
    p-xylene 1.41
    chlorobenzene 2.56
    dimethyl carbonate 3.34
    n-octane 0.08
    formamide 3.5
    cyclopentanone 7.73
    2-pentanone 6.17
    anisole 4.9
    cyclopentyl methyl ether 4.6
    gamma-butyrolactone 6.53
    1-methoxy-2-propanol 20.77
    pyridine 7.09
    3-pentanone 3.5
    furfural 7.67
    n-dodecane 0.05
    diethylene glycol 13.62
    diisopropyl ether 1.38
    tert-amyl alcohol 2.49
    acetylacetone 9.56
    n-hexadecane 0.06
    acetophenone 5.04
    methyl propionate 3.86
    isopentyl acetate 6.88
    trichloroethylene 6.81
    n-nonanol 3.67
    cyclohexanol 3.01
    benzyl alcohol 5.47
    2-ethylhexanol 2.82
    isooctanol 4.36
    dipropyl ether 2.9
    1,2-dichlorobenzene 2.6
    ethyl lactate 3.56
    propylene carbonate 4.09
    n-methylformamide 3.85
    2-pentanol 3.09
    n-pentane 0.13
    1-propoxy-2-propanol 15.84
    1-methoxy-2-propyl acetate 13.82
    2-(2-methoxypropoxy) propanol 13.12
    mesitylene 1.35
    ε-caprolactone 7.15
    p-cymene 1.4
    epichlorohydrin 9.32
    1,1,1-trichloroethane 2.77
    2-aminoethanol 3.65
    morpholine-4-carbaldehyde 14.14
    sulfolane 8.29
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 4.23
    n-hexyl acetate 6.98
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 20.12
    sec-butyl acetate 2.93
    tert-butyl acetate 7.79
    decalin 0.15
    glycerin 5.03
    diglyme 31.16
    acrylic acid 2.75
    isopropyl myristate 2.55
    n-butyric acid 7.81
    acetyl acetate 4.31
    di(2-ethylhexyl) phthalate 4.53
    ethyl propionate 3.03
    nitromethane 5.39
    1,2-diethoxyethane 8.1
    benzonitrile 3.4
    trioctyl phosphate 3.0
    1-bromopropane 1.38
    gamma-valerolactone 20.86
    n-decanol 2.06
    triethyl phosphate 3.05
    4-methyl-2-pentanol 3.56
    propionitrile 2.53
    vinylene carbonate 4.83
    1,1,2-trichlorotrifluoroethane 10.45
    DMS 4.61
    cumene 1.05
    2-octanol 2.35
    2-hexanone 3.66
    octyl acetate 3.27
    limonene 1.43
    1,2-dimethoxyethane 13.48
    ethyl orthosilicate 3.43
    tributyl phosphate 2.65
    diacetone alcohol 11.2
    N,N-dimethylaniline 3.59
    acrylonitrile 3.09
    aniline 4.56
    1,3-propanediol 9.73
    bromobenzene 2.24
    dibromomethane 2.62
    1,1,2,2-tetrachloroethane 5.62
    2-methyl-cyclohexyl acetate 4.82
    tetrabutyl urea 3.96
    diisobutyl methanol 2.35
    2-phenylethanol 8.24
    styrene 1.29
    dioctyl adipate 4.35
    dimethyl sulfate 4.8
    ethyl butyrate 4.07
    methyl lactate 5.28
    butyl lactate 8.41
    diethyl carbonate 2.73
    propanediol butyl ether 13.23
    triethyl orthoformate 5.0
    p-tert-butyltoluene 1.46
    methyl 4-tert-butylbenzoate 10.71
    morpholine 11.78
    tert-butylamine 2.12
    n-dodecanol 1.15
    dimethoxymethane 14.84
    ethylene carbonate 4.37
    cyrene 10.25
    2-ethoxyethyl acetate 13.36
    2-ethylhexyl acetate 4.72
    1,2,4-trichlorobenzene 3.74
    4-methylpyridine 5.97
    dibutyl ether 1.94
    2,6-dimethyl-4-heptanol 2.35
    DEF 5.12
    dimethyl isosorbide 17.91
    tetrachloroethylene 4.4
    eugenol 12.37
    triacetin 8.8
    span 80 10.79
    1,4-butanediol 2.79
    1,1-dichloroethane 2.5
    2-methyl-1-pentanol 3.43
    methyl formate 2.26
    2-methyl-1-butanol 4.17
    n-decane 0.13
    butyronitrile 3.3
    3,7-dimethyl-1-octanol 3.01
    1-chlorooctane 0.75
    1-chlorotetradecane 0.23
    n-nonane 0.1
    undecane 0.08
    tert-butylcyclohexane 0.15
    cyclooctane 0.09
    cyclopentanol 2.58
    tetrahydropyran 5.74
    tert-amyl methyl ether 2.14
    2,5,8-trioxanonane 19.49
    1-hexene 0.42
    2-isopropoxyethanol 8.1
    2,2,2-trifluoroethanol 2.53
    methyl butyrate 3.56

    Scent© AI

1 4

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