(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

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  • Identifiers

    CAS number
    29374-98-9

    Molecular formula
    C29H46O

    SMILES
    CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 81.89%
    Sandalwood 43.1%
    Amber 41.79%
    Dry 38.15%
    Cedar 35.85%
    Balsamic 34.72%
    Spicy 34.63%
    Vetiver 34.14%
    Waxy 32.52%
    Fruity 30.8%

     

    Flavor
    Woody 50.22%
    Herbal 42.6%
    Wood 38.57%
    Spice 37.12%
    Herb 35.77%
    Terpentine 21.91%
    Cedarleaf 21.41%
    Diterpene 20.78%
    Low 20.72%
    Terpene 20.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.1

    pKa est.
    7.29 (neutral)

    Molecular weight
    410.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    501°C

    Flash point

    • 222.52 ˚C est.

  • Synonyms

    • DTXSID401312789
    • 29374-98-9
    • 29374-98-9

  • Applications

    For the compound (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one (CAS 29374-98-9), typical applications include its use as an intermediate in the synthesis of corticosteroid glucocorticoids in pharmaceutical development; as a chemical precursor in corticosteroid manufacturing; as an analytical reference standard for quality control in steroid chemistry; and in research settings to study steroid frameworks and stereochemistry, with potential as a starting material for related steroid compounds in industrial research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.57
    methanol 3.7
    isopropanol 20.64
    water 0.02
    ethyl acetate 51.1
    n-propanol 30.55
    acetone 32.85
    n-butanol 43.62
    acetonitrile 5.52
    DMF 23.42
    toluene 146.84
    isobutanol 26.76
    1,4-dioxane 90.88
    methyl acetate 23.33
    THF 145.6
    2-butanone 50.19
    n-pentanol 26.6
    sec-butanol 19.14
    n-hexane 5.99
    ethylene glycol 0.49
    NMP 49.72
    cyclohexane 15.83
    DMSO 8.01
    n-butyl acetate 60.91
    n-octanol 14.43
    chloroform 140.57
    n-propyl acetate 38.14
    acetic acid 8.76
    dichloromethane 88.0
    cyclohexanone 98.51
    propylene glycol 1.63
    isopropyl acetate 62.83
    DMAc 57.56
    2-ethoxyethanol 29.02
    isopentanol 44.86
    n-heptane 6.28
    ethyl formate 11.46
    1,2-dichloroethane 59.76
    n-hexanol 39.48
    2-methoxyethanol 27.96
    isobutyl acetate 43.53
    tetrachloromethane 24.26
    n-pentyl acetate 55.64
    transcutol 191.33
    n-heptanol 24.95
    ethylbenzene 47.6
    MIBK 62.15
    2-propoxyethanol 80.93
    tert-butanol 18.17
    MTBE 45.09
    2-butoxyethanol 55.57
    propionic acid 10.16
    o-xylene 62.71
    formic acid 1.54
    diethyl ether 76.23
    m-xylene 89.1
    p-xylene 48.76
    chlorobenzene 80.22
    dimethyl carbonate 15.41
    n-octane 1.75
    formamide 2.61
    cyclopentanone 83.56
    2-pentanone 65.59
    anisole 73.78
    cyclopentyl methyl ether 95.7
    gamma-butyrolactone 54.59
    1-methoxy-2-propanol 40.69
    pyridine 92.85
    3-pentanone 54.27
    furfural 46.91
    n-dodecane 1.07
    diethylene glycol 18.91
    diisopropyl ether 31.28
    tert-amyl alcohol 16.03
    acetylacetone 63.64
    n-hexadecane 1.35
    acetophenone 57.03
    methyl propionate 37.94
    isopentyl acetate 79.51
    trichloroethylene 118.65
    n-nonanol 18.12
    cyclohexanol 38.99
    benzyl alcohol 37.56
    2-ethylhexanol 31.28
    isooctanol 24.5
    dipropyl ether 54.54
    1,2-dichlorobenzene 71.05
    ethyl lactate 15.99
    propylene carbonate 34.81
    n-methylformamide 6.52
    2-pentanol 29.88
    n-pentane 8.49
    1-propoxy-2-propanol 69.35
    1-methoxy-2-propyl acetate 102.67
    2-(2-methoxypropoxy) propanol 53.68
    mesitylene 47.49
    ε-caprolactone 88.46
    p-cymene 32.3
    epichlorohydrin 84.35
    1,1,1-trichloroethane 64.23
    2-aminoethanol 3.13
    morpholine-4-carbaldehyde 69.39
    sulfolane 45.37
    2,2,4-trimethylpentane 4.55
    2-methyltetrahydrofuran 94.07
    n-hexyl acetate 53.23
    isooctane 4.57
    2-(2-butoxyethoxy)ethanol 71.98
    sec-butyl acetate 43.53
    tert-butyl acetate 72.68
    decalin 8.34
    glycerin 3.12
    diglyme 128.03
    acrylic acid 6.39
    isopropyl myristate 25.33
    n-butyric acid 36.2
    acetyl acetate 34.69
    di(2-ethylhexyl) phthalate 28.25
    ethyl propionate 39.23
    nitromethane 12.99
    1,2-diethoxyethane 81.37
    benzonitrile 35.41
    trioctyl phosphate 17.49
    1-bromopropane 61.98
    gamma-valerolactone 125.24
    n-decanol 12.1
    triethyl phosphate 31.17
    4-methyl-2-pentanol 27.53
    propionitrile 16.77
    vinylene carbonate 32.03
    1,1,2-trichlorotrifluoroethane 35.67
    DMS 37.25
    cumene 30.43
    2-octanol 14.09
    2-hexanone 43.45
    octyl acetate 27.48
    limonene 36.42
    1,2-dimethoxyethane 61.95
    ethyl orthosilicate 37.14
    tributyl phosphate 19.6
    diacetone alcohol 48.2
    N,N-dimethylaniline 51.41
    acrylonitrile 12.12
    aniline 65.85
    1,3-propanediol 13.27
    bromobenzene 101.1
    dibromomethane 71.81
    1,1,2,2-tetrachloroethane 92.76
    2-methyl-cyclohexyl acetate 57.66
    tetrabutyl urea 27.6
    diisobutyl methanol 23.52
    2-phenylethanol 58.41
    styrene 50.49
    dioctyl adipate 37.48
    dimethyl sulfate 19.14
    ethyl butyrate 53.77
    methyl lactate 12.76
    butyl lactate 37.02
    diethyl carbonate 32.73
    propanediol butyl ether 25.91
    triethyl orthoformate 56.48
    p-tert-butyltoluene 30.08
    methyl 4-tert-butylbenzoate 65.57
    morpholine 99.7
    tert-butylamine 16.51
    n-dodecanol 8.41
    dimethoxymethane 53.07
    ethylene carbonate 31.44
    cyrene 44.38
    2-ethoxyethyl acetate 85.11
    2-ethylhexyl acetate 69.81
    1,2,4-trichlorobenzene 83.86
    4-methylpyridine 100.22
    dibutyl ether 26.8
    2,6-dimethyl-4-heptanol 23.52
    DEF 55.1
    dimethyl isosorbide 101.49
    tetrachloroethylene 60.37
    eugenol 59.21
    triacetin 57.39
    span 80 42.83
    1,4-butanediol 4.3
    1,1-dichloroethane 58.46
    2-methyl-1-pentanol 30.4
    methyl formate 4.59
    2-methyl-1-butanol 37.06
    n-decane 2.55
    butyronitrile 26.46
    3,7-dimethyl-1-octanol 21.68
    1-chlorooctane 12.58
    1-chlorotetradecane 4.3
    n-nonane 2.07
    undecane 1.56
    tert-butylcyclohexane 6.48
    cyclooctane 6.41
    cyclopentanol 22.56
    tetrahydropyran 131.08
    tert-amyl methyl ether 34.93
    2,5,8-trioxanonane 79.97
    1-hexene 20.37
    2-isopropoxyethanol 31.79
    2,2,2-trifluoroethanol 4.51
    methyl butyrate 40.06

    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