Dihydroergosterol

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  • Identifiers

    CAS number
    516-79-0

    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=C4[C@@]3(CC[C@@H](C4)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 83.19%
    Sandalwood 54.25%
    Amber 45.12%
    Balsamic 40.91%
    Dry 39.83%
    Spicy 36.9%
    Vetiver 35.2%
    Cedar 33.74%
    Waxy 32.78%
    Musk 29.99%

     

    Flavor
    Woody 50.54%
    Wood 41.92%
    Herb 37.19%
    Spice 35.4%
    Herbal 34.78%
    Waxy 24.95%
    Terpene 23.78%
    Pine 23.03%
    Fir needle 22.99%
    Turpentine 22.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.2

    pKa est.
    7.84 (neutral)

    Molecular weight
    398.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    489°C

    Flash point

    • 215.62 ˚C est.

  • Synonyms

    • 22,23-Dihydroergosterol
    • Dihydroergosterol
    • 516-79-0
    • 5,7-Ergostadienol
    • AZW48AYG7C
    • (3S,9S,10R,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
    • (3beta)-ergosta-5,7-dien-3-ol
    • 24S-Methylcholesta-5,7-dien-3beta-ol
    • (3S,9S,10R,13R,14R,17R)-17-((2R,5S)-5,6-DIMETHYLHEPTAN-2-YL)-10,13-DIMETHYL-2,3,4,9,11,12,14,15,16,17-DECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-OL
    • RefChem:920214
    • ergosta-5,7-dien-3 beta-ol
    • 208-226-3
    • Ergosta-5,7-dien-3beta-ol
    • Provitamin D4
    • 22-dihydroergosterol
    • 22,23-Dihydroergosterol, non-irradiated
    • .delta.5,7-Ergostadienol
    • Ergosta-5,7-dien-3.beta.-ol
    • Ergosta-5,7-dien-3-ol, (3.beta.)-
    • 24S-Methylcholesta-5,7-dien-3.beta.-ol
    • EINECS 208-226-3
    • 24-Methylcholesta-5,7-dien-3-.beta.-ol
    • UNII-AZW48AYG7C
    • delta(5,7)-Ergostadienol
    • Ergosta-5,7-dien-3-ol #
    • 5,7-Ergostadien-3.beta.-ol
    • orb2564230
    • SCHEMBL5133206
    • ergosta-5,7-dien-3betabeta-ol
    • CHEBI:66918
    • Delta(5,7)-ergostadien-3beta-ol
    • HY-N12595
    • LMST01031027
    • .DELTA.5,7-Ergostadien-3.beta.-ol
    • 24-methylcholesta-5,7-dien-3-beta-ol
    • CS-0997744
    • (3.BETA.)-ERGOSTA-5,7-DIEN-3-OL
    • Q27135518
    • Ergostra-5,7-dien-3|A-ol; Provitamin D4 ; ?5,7-Ergostadien-3|A-ol; ?5,7-Ergostadienol; (3S,9S,10R,13R,14R,17R)-17-((2R,5S)-5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • 516-79-0

  • Applications

    Chemical name: Dihydroergosterol; CAS number: 516-79-0. Dihydroergosterol may be used as an emollient and skin-conditioning ingredient in cosmetics and personal care; as an intermediate in steroid/sterol chemistry for pharmaceutical and fine chemical applications; as a building block for sterol derivatives in specialty chemicals; evaluated as a stabilizing or functional additive for certain polymers and coating formulations; and used as an analytical reference material or starting point in research and development within industrial contexts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.92
    methanol 2.59
    isopropanol 16.28
    water 0.02
    ethyl acetate 38.59
    n-propanol 21.64
    acetone 27.34
    n-butanol 32.6
    acetonitrile 2.87
    DMF 16.28
    toluene 94.21
    isobutanol 19.44
    1,4-dioxane 78.29
    methyl acetate 16.63
    THF 124.71
    2-butanone 37.28
    n-pentanol 19.65
    sec-butanol 13.49
    n-hexane 6.26
    ethylene glycol 0.37
    NMP 28.75
    cyclohexane 12.69
    DMSO 7.39
    n-butyl acetate 55.98
    n-octanol 18.45
    chloroform 90.73
    n-propyl acetate 29.58
    acetic acid 5.92
    dichloromethane 48.22
    cyclohexanone 68.02
    propylene glycol 1.17
    isopropyl acetate 53.21
    DMAc 40.86
    2-ethoxyethanol 23.12
    isopentanol 35.31
    n-heptane 8.75
    ethyl formate 7.51
    1,2-dichloroethane 35.72
    n-hexanol 35.86
    2-methoxyethanol 21.15
    isobutyl acetate 37.68
    tetrachloromethane 18.69
    n-pentyl acetate 57.69
    transcutol 207.32
    n-heptanol 27.59
    ethylbenzene 34.49
    MIBK 54.01
    2-propoxyethanol 68.32
    tert-butanol 17.16
    MTBE 48.56
    2-butoxyethanol 56.25
    propionic acid 6.83
    o-xylene 44.57
    formic acid 1.07
    diethyl ether 69.58
    m-xylene 63.85
    p-xylene 34.91
    chlorobenzene 45.61
    dimethyl carbonate 11.58
    n-octane 2.48
    formamide 1.77
    cyclopentanone 57.24
    2-pentanone 51.88
    anisole 56.3
    cyclopentyl methyl ether 74.59
    gamma-butyrolactone 34.67
    1-methoxy-2-propanol 31.81
    pyridine 58.48
    3-pentanone 41.7
    furfural 28.3
    n-dodecane 1.35
    diethylene glycol 15.49
    diisopropyl ether 31.46
    tert-amyl alcohol 14.55
    acetylacetone 51.73
    n-hexadecane 1.68
    acetophenone 41.99
    methyl propionate 28.82
    isopentyl acetate 76.0
    trichloroethylene 69.47
    n-nonanol 23.7
    cyclohexanol 25.74
    benzyl alcohol 24.9
    2-ethylhexanol 31.5
    isooctanol 28.56
    dipropyl ether 61.54
    1,2-dichlorobenzene 42.63
    ethyl lactate 12.19
    propylene carbonate 23.09
    n-methylformamide 4.07
    2-pentanol 23.76
    n-pentane 8.39
    1-propoxy-2-propanol 65.37
    1-methoxy-2-propyl acetate 92.18
    2-(2-methoxypropoxy) propanol 57.15
    mesitylene 39.0
    ε-caprolactone 61.91
    p-cymene 30.2
    epichlorohydrin 53.89
    1,1,1-trichloroethane 44.85
    2-aminoethanol 2.08
    morpholine-4-carbaldehyde 50.15
    sulfolane 30.47
    2,2,4-trimethylpentane 4.82
    2-methyltetrahydrofuran 67.46
    n-hexyl acetate 58.22
    isooctane 5.24
    2-(2-butoxyethoxy)ethanol 79.97
    sec-butyl acetate 35.82
    tert-butyl acetate 67.37
    decalin 7.22
    glycerin 2.51
    diglyme 139.94
    acrylic acid 4.14
    isopropyl myristate 28.02
    n-butyric acid 25.47
    acetyl acetate 27.7
    di(2-ethylhexyl) phthalate 26.73
    ethyl propionate 30.85
    nitromethane 8.52
    1,2-diethoxyethane 88.57
    benzonitrile 20.98
    trioctyl phosphate 18.51
    1-bromopropane 39.21
    gamma-valerolactone 87.27
    n-decanol 15.79
    triethyl phosphate 27.94
    4-methyl-2-pentanol 25.77
    propionitrile 9.39
    vinylene carbonate 21.49
    1,1,2-trichlorotrifluoroethane 25.33
    DMS 32.34
    cumene 24.8
    2-octanol 17.18
    2-hexanone 34.23
    octyl acetate 29.77
    limonene 34.34
    1,2-dimethoxyethane 55.19
    ethyl orthosilicate 34.71
    tributyl phosphate 19.02
    diacetone alcohol 42.79
    N,N-dimethylaniline 41.88
    acrylonitrile 6.68
    aniline 44.41
    1,3-propanediol 9.52
    bromobenzene 60.18
    dibromomethane 42.55
    1,1,2,2-tetrachloroethane 61.65
    2-methyl-cyclohexyl acetate 51.53
    tetrabutyl urea 27.56
    diisobutyl methanol 26.11
    2-phenylethanol 45.65
    styrene 34.33
    dioctyl adipate 37.17
    dimethyl sulfate 14.39
    ethyl butyrate 49.07
    methyl lactate 9.73
    butyl lactate 36.39
    diethyl carbonate 28.95
    propanediol butyl ether 27.6
    triethyl orthoformate 54.22
    p-tert-butyltoluene 29.84
    methyl 4-tert-butylbenzoate 61.65
    morpholine 73.28
    tert-butylamine 15.75
    n-dodecanol 10.78
    dimethoxymethane 47.33
    ethylene carbonate 21.26
    cyrene 35.21
    2-ethoxyethyl acetate 82.14
    2-ethylhexyl acetate 66.24
    1,2,4-trichlorobenzene 53.0
    4-methylpyridine 63.87
    dibutyl ether 34.51
    2,6-dimethyl-4-heptanol 26.11
    DEF 39.31
    dimethyl isosorbide 92.77
    tetrachloroethylene 41.67
    eugenol 53.52
    triacetin 56.19
    span 80 45.33
    1,4-butanediol 2.96
    1,1-dichloroethane 36.3
    2-methyl-1-pentanol 24.24
    methyl formate 3.07
    2-methyl-1-butanol 28.49
    n-decane 3.49
    butyronitrile 16.22
    3,7-dimethyl-1-octanol 26.61
    1-chlorooctane 14.94
    1-chlorotetradecane 4.86
    n-nonane 2.88
    undecane 2.04
    tert-butylcyclohexane 6.55
    cyclooctane 6.08
    cyclopentanol 14.76
    tetrahydropyran 100.69
    tert-amyl methyl ether 34.34
    2,5,8-trioxanonane 85.3
    1-hexene 17.38
    2-isopropoxyethanol 26.98
    2,2,2-trifluoroethanol 3.16
    methyl butyrate 29.98

    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