Ergosta-7,25(27)-dienol

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  • Identifiers

    CAS number
    95043-18-8

    Molecular formula
    C28H46O

    SMILES
    C[C@H](CC[C@H](C)C(=C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 83.34%
    Sandalwood 52.66%
    Sweet 44.82%
    Amber 42.74%
    Balsamic 42.02%
    Dry 39.29%
    Spicy 34.36%
    Cedar 33.21%
    Waxy 32.18%
    Vetiver 31.8%

     

    Flavor
    Woody 56.44%
    Wood 44.65%
    Herb 38.07%
    Herbal 36.03%
    Spice 35.16%
    Waxy 25.31%
    Pine 24.29%
    Balsam 24.28%
    Terpene 24.13%
    Fir needle 23.46%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.5

    pKa est.
    7.58 (neutral)

    Molecular weight
    398.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    498°C

    Flash point

    • 210.9 ˚C est.

  • Synonyms

    • 95043-18-8
    • ergosta-7,25(27)-dienol
    • DTXSID301306549
    • 5alpha-Ergosta-7,25-dien-3beta-ol
    • (3I(2),5I+/-)-Ergosta-7,25-dien-3-ol
    • 95043-18-8

  • Applications

    Ergosta-7,25(27)-dienol (CAS 95043-18-8) is primarily used as a sterol intermediate and building block for the synthesis of steroid-related compounds in pharmaceutical and specialty chemical applications. It is commonly employed as a starting material for the preparation of complex sterol derivatives and may serve in sterol chemistry pipelines for further functionalization. In cosmetics and personal care, this compound may be evaluated as a sterol-based ingredient that can influence texture and skin feel in formulations such as creams and serums. In laboratory settings, ergosta-7,25(27)-dienol can function as a reference standard or analytical benchmark for sterol/lipid analysis, and it is explored in research and development contexts for polymer and coating materials where it provides a sterol framework for functional derivatives. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 52.94
    methanol 8.53
    isopropanol 59.41
    water 0.06
    ethyl acetate 66.97
    n-propanol 60.77
    acetone 56.93
    n-butanol 77.86
    acetonitrile 7.03
    DMF 37.07
    toluene 132.46
    isobutanol 45.97
    1,4-dioxane 146.73
    methyl acetate 26.52
    THF 298.19
    2-butanone 59.58
    n-pentanol 31.55
    sec-butanol 30.24
    n-hexane 4.58
    ethylene glycol 0.85
    NMP 33.66
    cyclohexane 11.95
    DMSO 14.73
    n-butyl acetate 75.14
    n-octanol 25.37
    chloroform 144.4
    n-propyl acetate 38.27
    acetic acid 12.94
    dichloromethane 73.62
    cyclohexanone 93.12
    propylene glycol 2.63
    isopropyl acetate 90.62
    DMAc 58.17
    2-ethoxyethanol 45.49
    isopentanol 77.08
    n-heptane 7.24
    ethyl formate 13.78
    1,2-dichloroethane 51.29
    n-hexanol 53.1
    2-methoxyethanol 59.22
    isobutyl acetate 45.56
    tetrachloromethane 24.83
    n-pentyl acetate 72.59
    transcutol 394.93
    n-heptanol 38.77
    ethylbenzene 35.86
    MIBK 85.61
    2-propoxyethanol 124.62
    tert-butanol 49.84
    MTBE 88.41
    2-butoxyethanol 94.28
    propionic acid 12.36
    o-xylene 53.71
    formic acid 2.41
    diethyl ether 127.6
    m-xylene 87.75
    p-xylene 35.1
    chlorobenzene 60.72
    dimethyl carbonate 19.25
    n-octane 1.96
    formamide 4.18
    cyclopentanone 89.5
    2-pentanone 85.7
    anisole 71.87
    cyclopentyl methyl ether 115.9
    gamma-butyrolactone 57.73
    1-methoxy-2-propanol 85.29
    pyridine 99.4
    3-pentanone 52.35
    furfural 47.87
    n-dodecane 1.06
    diethylene glycol 32.91
    diisopropyl ether 43.22
    tert-amyl alcohol 27.04
    acetylacetone 90.95
    n-hexadecane 1.34
    acetophenone 50.01
    methyl propionate 43.85
    isopentyl acetate 101.5
    trichloroethylene 101.35
    n-nonanol 30.09
    cyclohexanol 41.72
    benzyl alcohol 37.44
    2-ethylhexanol 37.7
    isooctanol 38.27
    dipropyl ether 77.29
    1,2-dichlorobenzene 52.56
    ethyl lactate 17.2
    propylene carbonate 35.52
    n-methylformamide 9.09
    2-pentanol 48.56
    n-pentane 8.7
    1-propoxy-2-propanol 114.45
    1-methoxy-2-propyl acetate 145.76
    2-(2-methoxypropoxy) propanol 80.33
    mesitylene 48.99
    ε-caprolactone 81.5
    p-cymene 32.0
    epichlorohydrin 96.1
    1,1,1-trichloroethane 58.58
    2-aminoethanol 5.47
    morpholine-4-carbaldehyde 74.95
    sulfolane 42.79
    2,2,4-trimethylpentane 4.26
    2-methyltetrahydrofuran 114.66
    n-hexyl acetate 73.78
    isooctane 5.8
    2-(2-butoxyethoxy)ethanol 132.24
    sec-butyl acetate 44.85
    tert-butyl acetate 109.34
    decalin 5.4
    glycerin 5.89
    diglyme 236.55
    acrylic acid 7.35
    isopropyl myristate 33.0
    n-butyric acid 51.45
    acetyl acetate 44.26
    di(2-ethylhexyl) phthalate 31.61
    ethyl propionate 38.58
    nitromethane 17.79
    1,2-diethoxyethane 135.49
    benzonitrile 32.34
    trioctyl phosphate 21.74
    1-bromopropane 48.5
    gamma-valerolactone 143.05
    n-decanol 19.08
    triethyl phosphate 30.24
    4-methyl-2-pentanol 46.33
    propionitrile 20.03
    vinylene carbonate 33.19
    1,1,2-trichlorotrifluoroethane 41.09
    DMS 38.94
    cumene 24.7
    2-octanol 22.02
    2-hexanone 40.0
    octyl acetate 35.33
    limonene 35.17
    1,2-dimethoxyethane 102.14
    ethyl orthosilicate 38.2
    tributyl phosphate 22.56
    diacetone alcohol 76.65
    N,N-dimethylaniline 47.39
    acrylonitrile 13.66
    aniline 73.12
    1,3-propanediol 28.35
    bromobenzene 74.31
    dibromomethane 59.38
    1,1,2,2-tetrachloroethane 85.05
    2-methyl-cyclohexyl acetate 57.86
    tetrabutyl urea 31.45
    diisobutyl methanol 35.65
    2-phenylethanol 64.75
    styrene 38.09
    dioctyl adipate 43.36
    dimethyl sulfate 21.44
    ethyl butyrate 61.35
    methyl lactate 17.08
    butyl lactate 51.42
    diethyl carbonate 34.19
    propanediol butyl ether 50.09
    triethyl orthoformate 66.31
    p-tert-butyltoluene 32.19
    methyl 4-tert-butylbenzoate 77.62
    morpholine 154.04
    tert-butylamine 37.92
    n-dodecanol 12.19
    dimethoxymethane 110.2
    ethylene carbonate 34.17
    cyrene 46.19
    2-ethoxyethyl acetate 112.49
    2-ethylhexyl acetate 76.31
    1,2,4-trichlorobenzene 62.1
    4-methylpyridine 101.35
    dibutyl ether 42.09
    2,6-dimethyl-4-heptanol 35.65
    DEF 54.45
    dimethyl isosorbide 128.35
    tetrachloroethylene 56.45
    eugenol 69.14
    triacetin 71.19
    span 80 63.11
    1,4-butanediol 6.04
    1,1-dichloroethane 56.19
    2-methyl-1-pentanol 33.49
    methyl formate 6.48
    2-methyl-1-butanol 51.9
    n-decane 2.91
    butyronitrile 35.72
    3,7-dimethyl-1-octanol 36.3
    1-chlorooctane 15.1
    1-chlorotetradecane 4.24
    n-nonane 2.43
    undecane 1.63
    tert-butylcyclohexane 5.27
    cyclooctane 5.07
    cyclopentanol 27.52
    tetrahydropyran 184.47
    tert-amyl methyl ether 48.22
    2,5,8-trioxanonane 132.05
    1-hexene 15.37
    2-isopropoxyethanol 46.0
    2,2,2-trifluoroethanol 5.67
    methyl butyrate 38.34

    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