Asterogenol

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  • Identifiers

    CAS number
    75921-90-3

    Molecular formula
    C21H34O3

    SMILES
    C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC=C3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 63.25%
    Sweet 46.39%
    Balsamic 44.63%
    Floral 41.9%
    Herbal 38.73%
    Sandalwood 35.41%
    Spicy 33.82%
    Fruity 33.74%
    Amber 32.99%
    Mint 32.01%

     

    Flavor
    Fruity 46.69%
    Herbal 40.54%
    Sweet 38.2%
    Fruit 36.02%
    Minty 34.26%
    Herb 33.2%
    Earthy 28.75%
    Bitter 28.22%
    Fresh 25.56%
    Spicy 24.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.54 (neutral)

    Molecular weight
    334.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    305°C

    Flash point

    • 236.64 ˚C est.

  • Synonyms

    • Asterogenol
    • 75921-90-3
    • (3S,5S,6S,8S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
    • (3S,5S,6S,8S,10S,13S,14S,17S)-17-((1R)-1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene-3,6-diol
    • RefChem:115284
    • 5alpha-pregn-9(11)-en-3beta,6alpha,20R-triol
    • Pregn-9(11)-ene-3,6,20-triol, (3beta,5alpha,6alpha,20R)-
    • pregn-9(11)-ene-3,6,20-triol
    • (20R)-5alpha-Pregn-9(11)-ene-3beta,6alpha,20-triol
    • DTXSID50997299
    • CHEBI:193210
    • 75921-90-3

  • Applications

    Asterogenol, CAS 75921-90-3, is considered a fragrance/odorant ingredient in perfumery and cosmetics, may be used as a fragrance and/or odor fixative in perfumes and personal care formulations; it may also appear in household cleaning products as a fragrance component. In the industrial sector, it may serve as an intermediate in organic synthesis or as a solvent for certain manufacturing processes; in coatings/inks and polymer systems, it may be used as a fragrance-related additive to impart or adjust odor characteristics in formulations. Its use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.32
    methanol 81.38
    isopropanol 30.58
    water 1.08
    ethyl acetate 23.69
    n-propanol 38.33
    acetone 51.21
    n-butanol 34.69
    acetonitrile 20.03
    DMF 101.21
    toluene 21.98
    isobutanol 19.2
    1,4-dioxane 107.37
    methyl acetate 15.83
    THF 263.09
    2-butanone 20.96
    n-pentanol 13.67
    sec-butanol 5.69
    n-hexane 0.56
    ethylene glycol 10.55
    NMP 25.47
    cyclohexane 1.87
    DMSO 73.62
    n-butyl acetate 22.15
    n-octanol 12.6
    chloroform 49.16
    n-propyl acetate 13.97
    acetic acid 27.29
    dichloromethane 29.27
    cyclohexanone 43.21
    propylene glycol 9.03
    isopropyl acetate 25.18
    DMAc 45.65
    2-ethoxyethanol 44.45
    isopentanol 25.32
    n-heptane 1.16
    ethyl formate 14.75
    1,2-dichloroethane 19.75
    n-hexanol 25.64
    2-methoxyethanol 114.97
    isobutyl acetate 15.27
    tetrachloromethane 8.31
    n-pentyl acetate 23.04
    transcutol 138.74
    n-heptanol 21.24
    ethylbenzene 7.58
    MIBK 27.75
    2-propoxyethanol 96.87
    tert-butanol 24.78
    MTBE 11.17
    2-butoxyethanol 58.19
    propionic acid 12.5
    o-xylene 11.0
    formic acid 20.51
    diethyl ether 24.64
    m-xylene 18.39
    p-xylene 9.31
    chlorobenzene 17.77
    dimethyl carbonate 20.73
    n-octane 0.65
    formamide 33.76
    cyclopentanone 62.02
    2-pentanone 29.85
    anisole 22.38
    cyclopentyl methyl ether 40.38
    gamma-butyrolactone 51.54
    1-methoxy-2-propanol 91.57
    pyridine 45.55
    3-pentanone 17.64
    furfural 46.18
    n-dodecane 0.5
    diethylene glycol 79.01
    diisopropyl ether 7.35
    tert-amyl alcohol 5.69
    acetylacetone 51.95
    n-hexadecane 0.61
    acetophenone 22.11
    methyl propionate 21.65
    isopentyl acetate 25.77
    trichloroethylene 39.79
    n-nonanol 14.37
    cyclohexanol 14.46
    benzyl alcohol 23.76
    2-ethylhexanol 12.48
    isooctanol 16.65
    dipropyl ether 15.94
    1,2-dichlorobenzene 15.71
    ethyl lactate 14.62
    propylene carbonate 21.46
    n-methylformamide 43.67
    2-pentanol 10.31
    n-pentane 0.97
    1-propoxy-2-propanol 56.74
    1-methoxy-2-propyl acetate 51.27
    2-(2-methoxypropoxy) propanol 37.78
    mesitylene 10.2
    ε-caprolactone 30.56
    p-cymene 7.53
    epichlorohydrin 63.9
    1,1,1-trichloroethane 15.35
    2-aminoethanol 26.88
    morpholine-4-carbaldehyde 67.42
    sulfolane 45.31
    2,2,4-trimethylpentane 0.48
    2-methyltetrahydrofuran 36.07
    n-hexyl acetate 24.28
    isooctane 0.81
    2-(2-butoxyethoxy)ethanol 60.37
    sec-butyl acetate 11.2
    tert-butyl acetate 26.29
    decalin 1.12
    glycerin 26.7
    diglyme 104.13
    acrylic acid 13.83
    isopropyl myristate 10.23
    n-butyric acid 29.91
    acetyl acetate 24.64
    di(2-ethylhexyl) phthalate 14.26
    ethyl propionate 13.84
    nitromethane 45.59
    1,2-diethoxyethane 35.7
    benzonitrile 21.85
    trioctyl phosphate 11.35
    1-bromopropane 8.64
    gamma-valerolactone 95.44
    n-decanol 9.8
    triethyl phosphate 11.2
    4-methyl-2-pentanol 12.7
    propionitrile 19.19
    vinylene carbonate 27.74
    1,1,2-trichlorotrifluoroethane 41.62
    DMS 19.02
    cumene 6.01
    2-octanol 9.6
    2-hexanone 14.11
    octyl acetate 13.05
    limonene 8.06
    1,2-dimethoxyethane 72.25
    ethyl orthosilicate 11.95
    tributyl phosphate 9.93
    diacetone alcohol 33.85
    N,N-dimethylaniline 16.11
    acrylonitrile 25.26
    aniline 27.72
    1,3-propanediol 51.56
    bromobenzene 15.77
    dibromomethane 18.08
    1,1,2,2-tetrachloroethane 31.29
    2-methyl-cyclohexyl acetate 17.9
    tetrabutyl urea 15.02
    diisobutyl methanol 9.47
    2-phenylethanol 34.18
    styrene 8.08
    dioctyl adipate 15.03
    dimethyl sulfate 26.37
    ethyl butyrate 16.89
    methyl lactate 22.98
    butyl lactate 25.09
    diethyl carbonate 11.6
    propanediol butyl ether 37.74
    triethyl orthoformate 17.64
    p-tert-butyltoluene 7.52
    methyl 4-tert-butylbenzoate 30.08
    morpholine 97.25
    tert-butylamine 11.12
    n-dodecanol 6.29
    dimethoxymethane 137.1
    ethylene carbonate 25.45
    cyrene 34.51
    2-ethoxyethyl acetate 38.61
    2-ethylhexyl acetate 17.82
    1,2,4-trichlorobenzene 18.72
    4-methylpyridine 33.35
    dibutyl ether 9.7
    2,6-dimethyl-4-heptanol 9.47
    DEF 21.65
    dimethyl isosorbide 58.63
    tetrachloroethylene 24.14
    eugenol 35.84
    triacetin 27.45
    span 80 29.36
    1,4-butanediol 13.06
    1,1-dichloroethane 15.29
    2-methyl-1-pentanol 9.9
    methyl formate 28.94
    2-methyl-1-butanol 12.92
    n-decane 1.05
    butyronitrile 22.35
    3,7-dimethyl-1-octanol 11.93
    1-chlorooctane 4.43
    1-chlorotetradecane 1.62
    n-nonane 0.82
    undecane 0.69
    tert-butylcyclohexane 0.91
    cyclooctane 0.95
    cyclopentanol 15.84
    tetrahydropyran 56.63
    tert-amyl methyl ether 6.42
    2,5,8-trioxanonane 65.6
    1-hexene 2.41
    2-isopropoxyethanol 28.43
    2,2,2-trifluoroethanol 14.43
    methyl butyrate 15.12

    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