Stigmast-7-enol

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  • Identifiers

    CAS number
    6869-99-4

    Molecular formula
    C29H50O

    SMILES
    CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 83.08%
    Sandalwood 53.21%
    Amber 44.28%
    Balsamic 43.8%
    Dry 40.45%
    Waxy 39.72%
    Spicy 36.97%
    Vetiver 36.1%
    Herbal 35.72%
    Cedar 33.0%

     

    Flavor
    Woody 37.76%
    Wood 33.04%
    Spice 30.87%
    Herb 30.65%
    Waxy 26.21%
    Herbal 25.03%
    Pine 23.81%
    Terpene 22.14%
    Fir needle 22.01%
    Sandalwood 21.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.1

    pKa est.
    7.89 (neutral)

    Molecular weight
    414.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    481°C

    Flash point

    • 217.8 ˚C est.

  • Synonyms

    • Stigmast-7-enol
    • Stigmast-7-en-3-ol
    • 6869-99-4
    • DTXSID90988383
    • RefChem:185753
    • DTXCID401415525
    • 22,23-Dihydrospinasterol
    • Stigmast-7-en-3-ol, (3b)-
    • SCHEMBL4625070
    • FS165750
    • (3S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • 6869-99-4

  • Applications

    Stigmast-7-enol (CAS 6869-99-4) is a chemical building block and intermediate used in organic synthesis, particularly for steroidal and phytosterol derivatives; it is commonly evaluated as a starting material for pharmaceutical intermediates and for cosmetics applications as an emollient or conditioning agent in skin and hair formulations; in industry it can serve as a lipophilic component in specialty waxes and in coatings or inks to adjust rheology and stability; it can also function as a fragrance intermediate or fixative in perfumery; and it may be a precursor for other sterol derivatives in polymer and materials chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.97
    methanol 3.22
    isopropanol 18.43
    water 0.04
    ethyl acetate 36.49
    n-propanol 26.17
    acetone 31.37
    n-butanol 36.8
    acetonitrile 3.66
    DMF 17.37
    toluene 80.28
    isobutanol 22.36
    1,4-dioxane 83.84
    methyl acetate 16.78
    THF 149.07
    2-butanone 36.65
    n-pentanol 21.81
    sec-butanol 13.27
    n-hexane 5.31
    ethylene glycol 0.45
    NMP 34.44
    cyclohexane 11.62
    DMSO 8.7
    n-butyl acetate 55.07
    n-octanol 19.39
    chloroform 85.22
    n-propyl acetate 28.97
    acetic acid 7.29
    dichloromethane 49.78
    cyclohexanone 74.32
    propylene glycol 1.26
    isopropyl acetate 50.94
    DMAc 39.66
    2-ethoxyethanol 26.2
    isopentanol 39.3
    n-heptane 8.2
    ethyl formate 8.96
    1,2-dichloroethane 35.95
    n-hexanol 35.81
    2-methoxyethanol 24.75
    isobutyl acetate 36.02
    tetrachloromethane 18.77
    n-pentyl acetate 58.17
    transcutol 215.79
    n-heptanol 29.72
    ethylbenzene 29.07
    MIBK 53.44
    2-propoxyethanol 74.0
    tert-butanol 18.21
    MTBE 44.89
    2-butoxyethanol 62.05
    propionic acid 7.84
    o-xylene 38.91
    formic acid 1.42
    diethyl ether 66.82
    m-xylene 56.04
    p-xylene 30.08
    chlorobenzene 46.08
    dimethyl carbonate 11.5
    n-octane 2.21
    formamide 2.24
    cyclopentanone 65.81
    2-pentanone 51.31
    anisole 51.84
    cyclopentyl methyl ether 76.37
    gamma-butyrolactone 41.91
    1-methoxy-2-propanol 34.64
    pyridine 62.02
    3-pentanone 38.2
    furfural 33.1
    n-dodecane 1.18
    diethylene glycol 17.33
    diisopropyl ether 28.24
    tert-amyl alcohol 13.5
    acetylacetone 53.08
    n-hexadecane 1.46
    acetophenone 40.46
    methyl propionate 27.89
    isopentyl acetate 73.78
    trichloroethylene 68.07
    n-nonanol 23.98
    cyclohexanol 27.04
    benzyl alcohol 25.44
    2-ethylhexanol 31.7
    isooctanol 29.81
    dipropyl ether 61.2
    1,2-dichlorobenzene 41.81
    ethyl lactate 12.47
    propylene carbonate 25.78
    n-methylformamide 5.01
    2-pentanol 22.77
    n-pentane 7.46
    1-propoxy-2-propanol 68.09
    1-methoxy-2-propyl acetate 91.09
    2-(2-methoxypropoxy) propanol 57.04
    mesitylene 34.62
    ε-caprolactone 66.71
    p-cymene 29.0
    epichlorohydrin 60.56
    1,1,1-trichloroethane 41.36
    2-aminoethanol 2.57
    morpholine-4-carbaldehyde 53.05
    sulfolane 36.76
    2,2,4-trimethylpentane 4.09
    2-methyltetrahydrofuran 77.01
    n-hexyl acetate 57.27
    isooctane 4.69
    2-(2-butoxyethoxy)ethanol 82.38
    sec-butyl acetate 33.51
    tert-butyl acetate 66.74
    decalin 6.32
    glycerin 2.86
    diglyme 145.36
    acrylic acid 4.78
    isopropyl myristate 26.31
    n-butyric acid 30.25
    acetyl acetate 28.25
    di(2-ethylhexyl) phthalate 26.85
    ethyl propionate 28.96
    nitromethane 10.48
    1,2-diethoxyethane 86.02
    benzonitrile 22.59
    trioctyl phosphate 18.56
    1-bromopropane 35.85
    gamma-valerolactone 99.19
    n-decanol 15.75
    triethyl phosphate 26.46
    4-methyl-2-pentanol 24.81
    propionitrile 10.84
    vinylene carbonate 23.77
    1,1,2-trichlorotrifluoroethane 27.31
    DMS 29.43
    cumene 21.53
    2-octanol 17.24
    2-hexanone 32.87
    octyl acetate 28.96
    limonene 33.41
    1,2-dimethoxyethane 58.75
    ethyl orthosilicate 33.51
    tributyl phosphate 18.88
    diacetone alcohol 44.77
    N,N-dimethylaniline 37.67
    acrylonitrile 7.72
    aniline 42.76
    1,3-propanediol 11.85
    bromobenzene 58.75
    dibromomethane 41.97
    1,1,2,2-tetrachloroethane 56.65
    2-methyl-cyclohexyl acetate 51.15
    tetrabutyl urea 27.12
    diisobutyl methanol 25.52
    2-phenylethanol 45.82
    styrene 30.2
    dioctyl adipate 36.33
    dimethyl sulfate 15.03
    ethyl butyrate 48.39
    methyl lactate 10.44
    butyl lactate 38.31
    diethyl carbonate 28.25
    propanediol butyl ether 30.39
    triethyl orthoformate 54.01
    p-tert-butyltoluene 28.56
    methyl 4-tert-butylbenzoate 61.86
    morpholine 81.21
    tert-butylamine 15.91
    n-dodecanol 10.31
    dimethoxymethane 50.43
    ethylene carbonate 23.83
    cyrene 37.71
    2-ethoxyethyl acetate 82.9
    2-ethylhexyl acetate 63.61
    1,2,4-trichlorobenzene 51.08
    4-methylpyridine 63.14
    dibutyl ether 32.76
    2,6-dimethyl-4-heptanol 25.52
    DEF 38.52
    dimethyl isosorbide 93.46
    tetrachloroethylene 40.41
    eugenol 54.75
    triacetin 56.25
    span 80 45.97
    1,4-butanediol 3.56
    1,1-dichloroethane 33.8
    2-methyl-1-pentanol 24.85
    methyl formate 3.73
    2-methyl-1-butanol 29.86
    n-decane 3.17
    butyronitrile 18.94
    3,7-dimethyl-1-octanol 26.01
    1-chlorooctane 14.15
    1-chlorotetradecane 4.3
    n-nonane 2.65
    undecane 1.79
    tert-butylcyclohexane 5.62
    cyclooctane 5.18
    cyclopentanol 17.43
    tetrahydropyran 106.26
    tert-amyl methyl ether 30.02
    2,5,8-trioxanonane 84.74
    1-hexene 15.07
    2-isopropoxyethanol 28.65
    2,2,2-trifluoroethanol 3.81
    methyl butyrate 29.26

    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