Epidihydrocholesterin

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  • Identifiers

    CAS number
    516-95-0

    Molecular formula
    C27H48O

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 77.12%
    Sandalwood 50.1%
    Balsamic 43.85%
    Waxy 42.37%
    Amber 42.23%
    Dry 38.57%
    Sweet 38.05%
    Spicy 35.54%
    Floral 34.12%
    Clean 33.04%

     

    Flavor
    Woody 32.88%
    Wood 27.95%
    Herb 27.61%
    Spice 27.47%
    Waxy 26.09%
    Pine 23.34%
    Fir needle 22.94%
    Old paper 21.5%
    Mentholic 21.45%
    Sandalwood 21.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.4

    pKa est.
    7.72 (neutral)

    Molecular weight
    388.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    445°C

    Melting point expt.

    • 113 - 114 °C

    Flash point

    • 216.49 ˚C est.

  • Synonyms

    • epidihydrocholesterin
    • epi-Cholestanol
    • Epicholestanol
    • Presteron
    • Epidehydrocholesterin
    • 516-95-0
    • alpha-Cholestanol
    • Cholestan-3alpha-ol
    • 3alpha-Hydroxy-5alpha-cholestane
    • Epidihydrocholesterin [JAN]
    • (3-alpha,5-alpha)-Cholestan-3-ol
    • Cholestan-3-alpha-ol
    • Cholestan-3-ol, (3alpha,5alpha)-
    • Cholestan-3-ol, (3.alpha.,5.alpha.)-
    • EINECS 208-228-4
    • UNII-87MLH50B7Q
    • Dihydrin (TN)
    • 87MLH50B7Q
    • (3alpha,5alpha)-Cholestan-3-ol
    • Cholestan-3.alpha.-ol
    • EPICHOLESTANOL [MI]
    • Cholestan-3-ol, (3-alpha,5-alpha)-
    • Epidihydrocholesterin (JAN)
    • EPICHOLESTANOL [WHO-DD]
    • (3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • CHEBI:31542
    • DTXSID90883420
    • (3.ALPHA.,5.ALPHA.)-CHOLESTAN-3-OL
    • (3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((2R)-6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-3-ol
    • RefChem:137199
    • alpha-Cholestanol (7CI)
    • DTXCID701022951
    • Cholestan-3-ol, (3-alpha,5-alpha)-(9CI)
    • 208-228-4
    • Dihydrin
    • QYIXCDOBOSTCEI-FBVYSKEZSA-N
    • QYIXCDOBOSTCEI-LNXFVTSZSA-N
    • 5alpha-Cholestan-3alpha-ol
    • 5-alpha-Cholestan-3-alpha-ol
    • Cholestan-3-ol #
    • 5b-cholestan-3a-ol
    • 5beta-Cholestan-3alpha-ol
    • 5.alpha.-Cholestan-3.alpha.-ol
    • a-Coprostanol
    • 5b-cholestanol
    • alpha-Coprostanol
    • 5a-cholestan-3a-ol
    • 5b-Cholestane-3a-ol
    • Cholesterol Impurity 42
    • 5beta-Cholestane-3alpha-ol
    • 5?(H)-Cholestan-3?-ol
    • SCHEMBL776234
    • CHEMBL2107718
    • AAA51695
    • LMST01010098
    • NS00124864
    • D01527
    • Q27114383
    • (3R,5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • 516-95-0

  • Applications

    Epidihydrocholesterin (CAS 516-95-0) is primarily considered an intermediate in steroid synthesis for pharmaceutical development; in cosmetics and personal care it may serve as a lipid-like excipient or emollient in cholesterol-based formulations; in research and development it is commonly used as an analytical reference material for sterol chromatography and as a building block for more complex steroid syntheses; it may also be evaluated as a formulation-related ingredient or lipid-like precursor in lipid-based study systems. Its use is subject to local regulations and formulation-specific limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 60.98
    methanol 11.06
    isopropanol 63.57
    water 0.12
    ethyl acetate 94.98
    n-propanol 79.17
    acetone 110.89
    n-butanol 93.55
    acetonitrile 17.84
    DMF 64.4
    toluene 149.35
    isobutanol 58.64
    1,4-dioxane 239.65
    methyl acetate 49.1
    THF 556.08
    2-butanone 101.47
    n-pentanol 41.61
    sec-butanol 34.79
    n-hexane 9.83
    ethylene glycol 1.42
    NMP 71.87
    cyclohexane 26.31
    DMSO 32.26
    n-butyl acetate 123.26
    n-octanol 39.49
    chloroform 179.42
    n-propyl acetate 67.55
    acetic acid 19.11
    dichloromethane 120.95
    cyclohexanone 176.91
    propylene glycol 3.95
    isopropyl acetate 127.63
    DMAc 82.74
    2-ethoxyethanol 59.79
    isopentanol 90.01
    n-heptane 17.78
    ethyl formate 26.42
    1,2-dichloroethane 91.68
    n-hexanol 74.74
    2-methoxyethanol 74.54
    isobutyl acetate 79.18
    tetrachloromethane 41.02
    n-pentyl acetate 113.19
    transcutol 383.85
    n-heptanol 56.84
    ethylbenzene 47.64
    MIBK 125.93
    2-propoxyethanol 160.16
    tert-butanol 61.78
    MTBE 128.94
    2-butoxyethanol 123.21
    propionic acid 21.43
    o-xylene 68.44
    formic acid 3.23
    diethyl ether 185.71
    m-xylene 105.38
    p-xylene 54.57
    chlorobenzene 94.37
    dimethyl carbonate 30.57
    n-octane 5.12
    formamide 6.19
    cyclopentanone 189.78
    2-pentanone 135.95
    anisole 92.76
    cyclopentyl methyl ether 191.09
    gamma-butyrolactone 133.94
    1-methoxy-2-propanol 91.79
    pyridine 144.15
    3-pentanone 85.99
    furfural 85.04
    n-dodecane 2.55
    diethylene glycol 42.9
    diisopropyl ether 72.68
    tert-amyl alcohol 34.2
    acetylacetone 139.85
    n-hexadecane 3.2
    acetophenone 72.48
    methyl propionate 68.16
    isopentyl acetate 153.48
    trichloroethylene 146.72
    n-nonanol 44.36
    cyclohexanol 64.23
    benzyl alcohol 50.0
    2-ethylhexanol 59.25
    isooctanol 54.69
    dipropyl ether 139.28
    1,2-dichlorobenzene 80.64
    ethyl lactate 28.16
    propylene carbonate 72.68
    n-methylformamide 16.83
    2-pentanol 53.34
    n-pentane 15.25
    1-propoxy-2-propanol 143.21
    1-methoxy-2-propyl acetate 190.04
    2-(2-methoxypropoxy) propanol 93.84
    mesitylene 68.47
    ε-caprolactone 142.46
    p-cymene 48.16
    epichlorohydrin 175.11
    1,1,1-trichloroethane 96.1
    2-aminoethanol 7.76
    morpholine-4-carbaldehyde 115.91
    sulfolane 101.98
    2,2,4-trimethylpentane 8.07
    2-methyltetrahydrofuran 224.34
    n-hexyl acetate 114.16
    isooctane 10.54
    2-(2-butoxyethoxy)ethanol 146.04
    sec-butyl acetate 69.69
    tert-butyl acetate 157.03
    decalin 11.02
    glycerin 8.06
    diglyme 275.24
    acrylic acid 12.7
    isopropyl myristate 48.89
    n-butyric acid 73.27
    acetyl acetate 67.97
    di(2-ethylhexyl) phthalate 44.0
    ethyl propionate 63.28
    nitromethane 33.25
    1,2-diethoxyethane 180.79
    benzonitrile 52.3
    trioctyl phosphate 32.71
    1-bromopropane 80.7
    gamma-valerolactone 253.58
    n-decanol 29.41
    triethyl phosphate 47.85
    4-methyl-2-pentanol 53.19
    propionitrile 36.15
    vinylene carbonate 60.5
    1,1,2-trichlorotrifluoroethane 59.67
    DMS 61.94
    cumene 36.44
    2-octanol 33.04
    2-hexanone 68.95
    octyl acetate 54.19
    limonene 57.46
    1,2-dimethoxyethane 147.25
    ethyl orthosilicate 57.98
    tributyl phosphate 34.93
    diacetone alcohol 101.1
    N,N-dimethylaniline 61.41
    acrylonitrile 24.75
    aniline 87.34
    1,3-propanediol 34.75
    bromobenzene 112.64
    dibromomethane 94.29
    1,1,2,2-tetrachloroethane 120.21
    2-methyl-cyclohexyl acetate 91.36
    tetrabutyl urea 45.76
    diisobutyl methanol 50.57
    2-phenylethanol 82.87
    styrene 53.21
    dioctyl adipate 63.8
    dimethyl sulfate 37.62
    ethyl butyrate 105.06
    methyl lactate 25.26
    butyl lactate 72.81
    diethyl carbonate 58.67
    propanediol butyl ether 61.47
    triethyl orthoformate 101.87
    p-tert-butyltoluene 50.04
    methyl 4-tert-butylbenzoate 105.7
    morpholine 235.32
    tert-butylamine 49.35
    n-dodecanol 19.99
    dimethoxymethane 156.82
    ethylene carbonate 62.56
    cyrene 64.22
    2-ethoxyethyl acetate 158.94
    2-ethylhexyl acetate 118.09
    1,2,4-trichlorobenzene 92.99
    4-methylpyridine 138.72
    dibutyl ether 71.3
    2,6-dimethyl-4-heptanol 50.57
    DEF 84.58
    dimethyl isosorbide 168.56
    tetrachloroethylene 82.85
    eugenol 86.0
    triacetin 103.83
    span 80 76.27
    1,4-butanediol 9.0
    1,1-dichloroethane 89.03
    2-methyl-1-pentanol 42.93
    methyl formate 13.1
    2-methyl-1-butanol 63.82
    n-decane 6.81
    butyronitrile 58.52
    3,7-dimethyl-1-octanol 49.45
    1-chlorooctane 29.45
    1-chlorotetradecane 9.1
    n-nonane 5.84
    undecane 3.88
    tert-butylcyclohexane 10.53
    cyclooctane 11.27
    cyclopentanol 52.82
    tetrahydropyran 300.09
    tert-amyl methyl ether 70.79
    2,5,8-trioxanonane 150.08
    1-hexene 29.55
    2-isopropoxyethanol 60.18
    2,2,2-trifluoroethanol 10.07
    methyl butyrate 67.91

    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