(3R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

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  • Identifiers

    CAS number
    881386-50-1

    Molecular formula
    C19H32O

    SMILES
    CC12CCCC1C3CCC4CC(CCC4(C3CC2)C)O

  • Odor profile

    Fragrance
    Woody 69.55%
    Musk 51.23%
    Amber 50.26%
    Sweet 49.21%
    Sandalwood 45.41%
    Dry 45.01%
    Clean 40.05%
    Balsamic 39.32%
    Cedar 35.95%
    Animal 35.44%

     

    Flavor
    Sweet 38.64%
    Earthy 35.89%
    Woody 28.65%
    Dry 28.37%
    Camphor 26.7%
    Fir needle 25.88%
    Earth 24.89%
    Beet 24.85%
    Soil 24.41%
    Old paper 24.3%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    8.11 (weak base)

    Molecular weight
    276.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    398°C

    Flash point

    • 180.62 ˚C est.

  • Synonyms

    • Androstanol
    • Oprea1_360462
    • DTXSID10859602
    • 881386-50-1
    • AKOS024319036
    • DB-050198
    • DS-016634
    • (3R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

  • Applications

    The compound (3R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (CAS 881386-50-1) is typically used as a chiral steroidal alcohol intermediate in pharmaceutical drug synthesis; in the pharmaceutical industry it serves as a building block for steroid derivatives and active pharmaceutical ingredients, and is commonly evaluated as a stereochemically defined starting material for asymmetric synthesis and structure–activity studies; it may also be explored as a precursor for steroid-derived cosmetic ingredients, depending on formulation goals and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1006.98
    methanol 588.4
    isopropanol 1186.97
    water 1.79
    ethyl acetate 1196.28
    n-propanol 1100.88
    acetone 1773.45
    n-butanol 1211.01
    acetonitrile 809.61
    DMF 1320.6
    toluene 888.57
    isobutanol 622.44
    1,4-dioxane 2239.95
    methyl acetate 618.06
    THF 3784.47
    2-butanone 958.84
    n-pentanol 178.88
    sec-butanol 284.21
    n-hexane 29.58
    ethylene glycol 42.5
    NMP 146.74
    cyclohexane 162.91
    DMSO 378.04
    n-butyl acetate 609.46
    n-octanol 90.83
    chloroform 1263.14
    n-propyl acetate 327.79
    acetic acid 182.11
    dichloromethane 924.2
    cyclohexanone 955.69
    propylene glycol 55.86
    isopropyl acetate 932.65
    DMAc 337.58
    2-ethoxyethanol 327.93
    isopentanol 734.46
    n-heptane 44.61
    ethyl formate 429.75
    1,2-dichloroethane 732.02
    n-hexanol 382.02
    2-methoxyethanol 1131.53
    isobutyl acetate 271.09
    tetrachloromethane 228.43
    n-pentyl acetate 259.06
    transcutol 1404.91
    n-heptanol 147.82
    ethylbenzene 166.06
    MIBK 699.28
    2-propoxyethanol 798.98
    tert-butanol 851.23
    MTBE 1109.71
    2-butoxyethanol 341.68
    propionic acid 201.61
    o-xylene 275.53
    formic acid 49.78
    diethyl ether 2039.78
    m-xylene 497.93
    p-xylene 192.75
    chlorobenzene 472.56
    dimethyl carbonate 258.83
    n-octane 15.54
    formamide 144.58
    cyclopentanone 1145.38
    2-pentanone 1236.6
    anisole 336.53
    cyclopentyl methyl ether 946.05
    gamma-butyrolactone 833.57
    1-methoxy-2-propanol 905.28
    pyridine 1150.37
    3-pentanone 614.95
    furfural 487.17
    n-dodecane 9.17
    diethylene glycol 341.7
    diisopropyl ether 421.99
    tert-amyl alcohol 181.55
    acetylacetone 945.51
    n-hexadecane 11.41
    acetophenone 201.28
    methyl propionate 633.09
    isopentyl acetate 572.22
    trichloroethylene 914.25
    n-nonanol 92.44
    cyclohexanol 387.97
    benzyl alcohol 178.93
    2-ethylhexanol 166.86
    isooctanol 121.87
    dipropyl ether 560.91
    1,2-dichlorobenzene 290.68
    ethyl lactate 102.87
    propylene carbonate 357.97
    n-methylformamide 557.85
    2-pentanol 437.27
    n-pentane 91.32
    1-propoxy-2-propanol 530.43
    1-methoxy-2-propyl acetate 663.43
    2-(2-methoxypropoxy) propanol 215.29
    mesitylene 283.42
    ε-caprolactone 564.04
    p-cymene 113.86
    epichlorohydrin 1110.68
    1,1,1-trichloroethane 575.12
    2-aminoethanol 148.73
    morpholine-4-carbaldehyde 455.24
    sulfolane 351.3
    2,2,4-trimethylpentane 22.87
    2-methyltetrahydrofuran 1138.01
    n-hexyl acetate 273.58
    isooctane 39.66
    2-(2-butoxyethoxy)ethanol 386.21
    sec-butyl acetate 254.32
    tert-butyl acetate 724.15
    decalin 29.69
    glycerin 94.73
    diglyme 863.91
    acrylic acid 120.12
    isopropyl myristate 113.49
    n-butyric acid 633.21
    acetyl acetate 460.42
    di(2-ethylhexyl) phthalate 86.91
    ethyl propionate 333.15
    nitromethane 521.47
    1,2-diethoxyethane 765.04
    benzonitrile 334.64
    trioctyl phosphate 68.04
    1-bromopropane 604.59
    gamma-valerolactone 1233.27
    n-decanol 68.15
    triethyl phosphate 112.71
    4-methyl-2-pentanol 289.17
    propionitrile 987.95
    vinylene carbonate 378.47
    1,1,2-trichlorotrifluoroethane 262.63
    DMS 213.2
    cumene 98.13
    2-octanol 74.34
    2-hexanone 243.52
    octyl acetate 120.21
    limonene 136.48
    1,2-dimethoxyethane 984.03
    ethyl orthosilicate 128.37
    tributyl phosphate 79.49
    diacetone alcohol 406.46
    N,N-dimethylaniline 156.58
    acrylonitrile 736.8
    aniline 608.69
    1,3-propanediol 581.41
    bromobenzene 517.86
    dibromomethane 666.1
    1,1,2,2-tetrachloroethane 616.59
    2-methyl-cyclohexyl acetate 179.27
    tetrabutyl urea 91.87
    diisobutyl methanol 152.64
    2-phenylethanol 271.38
    styrene 211.03
    dioctyl adipate 120.01
    dimethyl sulfate 180.95
    ethyl butyrate 386.16
    methyl lactate 158.62
    butyl lactate 170.28
    diethyl carbonate 208.16
    propanediol butyl ether 171.0
    triethyl orthoformate 253.87
    p-tert-butyltoluene 126.42
    methyl 4-tert-butylbenzoate 206.68
    morpholine 2029.65
    tert-butylamine 597.71
    n-dodecanol 51.71
    dimethoxymethane 1888.61
    ethylene carbonate 415.78
    cyrene 122.7
    2-ethoxyethyl acetate 414.61
    2-ethylhexyl acetate 356.05
    1,2,4-trichlorobenzene 277.18
    4-methylpyridine 978.6
    dibutyl ether 239.47
    2,6-dimethyl-4-heptanol 152.64
    DEF 523.23
    dimethyl isosorbide 351.76
    tetrachloroethylene 438.66
    eugenol 176.12
    triacetin 229.09
    span 80 153.25
    1,4-butanediol 60.11
    1,1-dichloroethane 837.16
    2-methyl-1-pentanol 121.71
    methyl formate 340.69
    2-methyl-1-butanol 365.13
    n-decane 18.92
    butyronitrile 1163.29
    3,7-dimethyl-1-octanol 123.63
    1-chlorooctane 74.28
    1-chlorotetradecane 26.95
    n-nonane 17.26
    undecane 12.47
    tert-butylcyclohexane 25.84
    cyclooctane 55.46
    cyclopentanol 355.8
    tetrahydropyran 2401.02
    tert-amyl methyl ether 305.4
    2,5,8-trioxanonane 404.89
    1-hexene 116.47
    2-isopropoxyethanol 217.52
    2,2,2-trifluoroethanol 80.33
    methyl butyrate 357.26

    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