10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one

  • Identifiers

    Molecular formula
    C19H26O

    SMILES
    CC12CCC3C(C1CC=C2)CCC4=CC(=O)CCC34C

  • Odor profile

    Fragrance
    Woody 69.6%
    Fruity 56.06%
    Amber 38.92%
    Musk 38.59%
    Sweet 38.49%
    Dry 37.17%
    Floral 35.23%
    Cedar 35.05%
    Powdery 33.36%
    Orris 32.48%

     

    Flavor
    Spice 27.97%
    Sweet 26.07%
    Woody 24.33%
    Spicy 24.01%
    Wood 23.63%
    Animal 21.81%
    Fir needle 21.77%
    Soil 21.45%
    Herbal 21.35%
    Beet 21.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.43 (neutral)

    Molecular weight
    270.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    410°C

    Flash point

    • 178.33 ˚C est.

  • Synonyms

    • CHEMBL141998
    • NSC93234
    • NCIOpen2_005884
    • SCHEMBL20424563
    • BDBM50422490
    • FA157858
    • NS00121987
  • Applications

    10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one is a fully saturated steroid nucleus commonly used as an intermediate in the synthesis of steroid drugs, including corticosteroids and related hormones. In pharmaceutical and medicinal chemistry contexts, it serves as a building block for steroid derivatives and as a reference substrate in SAR studies and method development. In industrial manufacturing and custom synthesis, it is considered a versatile intermediate for producing additional steroid scaffolds and tailored compounds. Academic and analytical laboratories may use it as a reference material or starting point for developing and validating analytical methods and synthetic routes. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.33
    methanol 68.42
    isopropanol 78.75
    water 0.38
    ethyl acetate 203.59
    n-propanol 105.81
    acetone 227.73
    n-butanol 112.74
    acetonitrile 88.21
    DMF 176.07
    toluene 652.38
    isobutanol 63.32
    1,4-dioxane 484.62
    methyl acetate 117.35
    THF 563.89
    2-butanone 164.12
    n-pentanol 26.42
    sec-butanol 28.06
    n-hexane 3.67
    ethylene glycol 10.03
    NMP 66.15
    cyclohexane 34.5
    DMSO 65.98
    n-butyl acetate 116.98
    n-octanol 14.0
    chloroform 658.96
    n-propyl acetate 77.1
    acetic acid 40.47
    dichloromethane 410.42
    cyclohexanone 290.05
    propylene glycol 12.07
    isopropyl acetate 182.39
    DMAc 120.3
    2-ethoxyethanol 61.61
    isopentanol 86.66
    n-heptane 4.43
    ethyl formate 66.19
    1,2-dichloroethane 264.73
    n-hexanol 55.54
    2-methoxyethanol 165.5
    isobutyl acetate 72.01
    tetrachloromethane 68.59
    n-pentyl acetate 62.8
    transcutol 464.43
    n-heptanol 25.63
    ethylbenzene 99.31
    MIBK 137.01
    2-propoxyethanol 158.68
    tert-butanol 70.37
    MTBE 79.32
    2-butoxyethanol 77.86
    propionic acid 42.3
    o-xylene 184.67
    formic acid 15.1
    diethyl ether 187.7
    m-xylene 285.04
    p-xylene 109.08
    chlorobenzene 259.79
    dimethyl carbonate 89.0
    n-octane 1.68
    formamide 37.37
    cyclopentanone 269.6
    2-pentanone 186.98
    anisole 190.11
    cyclopentyl methyl ether 195.96
    gamma-butyrolactone 199.61
    1-methoxy-2-propanol 148.89
    pyridine 459.41
    3-pentanone 147.39
    furfural 197.2
    n-dodecane 1.52
    diethylene glycol 97.49
    diisopropyl ether 54.39
    tert-amyl alcohol 23.06
    acetylacetone 247.55
    n-hexadecane 1.93
    acetophenone 128.43
    methyl propionate 142.83
    isopentyl acetate 129.44
    trichloroethylene 474.25
    n-nonanol 16.77
    cyclohexanol 85.82
    benzyl alcohol 99.01
    2-ethylhexanol 31.89
    isooctanol 25.37
    dipropyl ether 61.64
    1,2-dichlorobenzene 197.14
    ethyl lactate 37.94
    propylene carbonate 110.63
    n-methylformamide 81.06
    2-pentanol 45.32
    n-pentane 8.98
    1-propoxy-2-propanol 97.84
    1-methoxy-2-propyl acetate 210.51
    2-(2-methoxypropoxy) propanol 84.93
    mesitylene 128.04
    ε-caprolactone 185.39
    p-cymene 46.84
    epichlorohydrin 316.13
    1,1,1-trichloroethane 222.9
    2-aminoethanol 29.01
    morpholine-4-carbaldehyde 196.36
    sulfolane 114.4
    2,2,4-trimethylpentane 3.3
    2-methyltetrahydrofuran 176.17
    n-hexyl acetate 63.39
    isooctane 5.17
    2-(2-butoxyethoxy)ethanol 117.58
    sec-butyl acetate 78.85
    tert-butyl acetate 153.45
    decalin 9.65
    glycerin 27.44
    diglyme 261.91
    acrylic acid 36.37
    isopropyl myristate 34.8
    n-butyric acid 115.62
    acetyl acetate 136.82
    di(2-ethylhexyl) phthalate 40.83
    ethyl propionate 89.95
    nitromethane 106.65
    1,2-diethoxyethane 145.88
    benzonitrile 161.6
    trioctyl phosphate 24.32
    1-bromopropane 148.32
    gamma-valerolactone 381.32
    n-decanol 12.78
    triethyl phosphate 47.04
    4-methyl-2-pentanol 40.99
    propionitrile 141.36
    vinylene carbonate 139.79
    1,1,2-trichlorotrifluoroethane 118.41
    DMS 105.48
    cumene 52.25
    2-octanol 13.09
    2-hexanone 61.65
    octyl acetate 34.66
    limonene 45.33
    1,2-dimethoxyethane 167.01
    ethyl orthosilicate 46.41
    tributyl phosphate 29.4
    diacetone alcohol 108.49
    N,N-dimethylaniline 91.77
    acrylonitrile 150.34
    aniline 299.11
    1,3-propanediol 77.61
    bromobenzene 298.89
    dibromomethane 271.2
    1,1,2,2-tetrachloroethane 337.33
    2-methyl-cyclohexyl acetate 73.35
    tetrabutyl urea 37.3
    diisobutyl methanol 30.38
    2-phenylethanol 122.19
    styrene 127.24
    dioctyl adipate 51.33
    dimethyl sulfate 83.54
    ethyl butyrate 89.81
    methyl lactate 52.59
    butyl lactate 52.19
    diethyl carbonate 65.99
    propanediol butyl ether 48.81
    triethyl orthoformate 71.44
    p-tert-butyltoluene 45.91
    methyl 4-tert-butylbenzoate 96.46
    morpholine 397.18
    tert-butylamine 48.35
    n-dodecanol 10.17
    dimethoxymethane 291.93
    ethylene carbonate 129.59
    cyrene 71.68
    2-ethoxyethyl acetate 141.48
    2-ethylhexyl acetate 94.86
    1,2,4-trichlorobenzene 205.54
    4-methylpyridine 427.64
    dibutyl ether 28.99
    2,6-dimethyl-4-heptanol 30.38
    DEF 123.18
    dimethyl isosorbide 152.36
    tetrachloroethylene 218.9
    eugenol 96.89
    triacetin 99.94
    span 80 60.0
    1,4-butanediol 14.87
    1,1-dichloroethane 242.39
    2-methyl-1-pentanol 26.13
    methyl formate 54.71
    2-methyl-1-butanol 49.1
    n-decane 2.67
    butyronitrile 131.9
    3,7-dimethyl-1-octanol 24.37
    1-chlorooctane 13.02
    1-chlorotetradecane 6.12
    n-nonane 2.14
    undecane 1.93
    tert-butylcyclohexane 7.03
    cyclooctane 10.73
    cyclopentanol 55.21
    tetrahydropyran 395.47
    tert-amyl methyl ether 39.1
    2,5,8-trioxanonane 159.16
    1-hexene 17.01
    2-isopropoxyethanol 48.63
    2,2,2-trifluoroethanol 24.77
    methyl butyrate 90.47

    Scent© AI

1 of 4
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