4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

  • Identifiers

    Molecular formula
    C30H54

    SMILES
    CC(C)CCCC(C)C1CCC2(C1(CCC3C2CCC4C3(CCCC4(C)C)C)C)C

  • Odor profile

    Fragrance
    Woody 83.18%
    Dry 44.94%
    Amber 44.41%
    Waxy 43.34%
    Sandalwood 35.46%
    Balsamic 32.67%
    Fatty 32.28%
    Vetiver 31.78%
    Cedar 31.73%
    Spicy 31.62%

     

    Flavor
    Woody 44.45%
    Pine 28.42%
    Wood 27.35%
    Dry 24.21%
    Fir needle 24.18%
    Camphor 24.12%
    Sweet 23.01%
    Waxy 22.99%
    Spice 22.66%
    Old paper 22.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.1

    pKa est.
    8.58 (weak base)

    Molecular weight
    414.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    465°C

    Flash point

    • 214.4 ˚C est.

  • Synonyms

    • DTXSID60963824
  • Applications

    4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene is a highly hydrogenated, steroid-like hydrocarbon. In practical terms, it is commonly evaluated as a non-polar reference scaffold in steroid chemistry and as a calibration standard for analytical methods (e.g., GC-MS). It may be used as an intermediate in pharmaceutical research and in the synthesis of steroid frameworks. It may also serve as a non-polar lubricant base component in industrial formulations and as a model compound for diffusion and solubility studies in polymers and plastics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.39
    methanol 3.58
    isopropanol 23.37
    water 0.06
    ethyl acetate 109.18
    n-propanol 34.49
    acetone 71.19
    n-butanol 48.99
    acetonitrile 13.06
    DMF 66.73
    toluene 218.05
    isobutanol 37.56
    1,4-dioxane 173.77
    methyl acetate 54.02
    THF 411.03
    2-butanone 96.94
    n-pentanol 36.7
    sec-butanol 29.2
    n-hexane 28.33
    ethylene glycol 1.02
    NMP 172.34
    cyclohexane 53.12
    DMSO 24.2
    n-butyl acetate 157.4
    n-octanol 45.48
    chloroform 169.81
    n-propyl acetate 85.78
    acetic acid 15.05
    dichloromethane 123.33
    cyclohexanone 239.48
    propylene glycol 2.95
    isopropyl acetate 155.3
    DMAc 133.52
    2-ethoxyethanol 38.35
    isopentanol 61.72
    n-heptane 39.64
    ethyl formate 23.83
    1,2-dichloroethane 94.56
    n-hexanol 72.59
    2-methoxyethanol 34.68
    isobutyl acetate 110.98
    tetrachloromethane 55.32
    n-pentyl acetate 155.34
    transcutol 214.14
    n-heptanol 59.96
    ethylbenzene 86.21
    MIBK 148.99
    2-propoxyethanol 116.36
    tert-butanol 33.94
    MTBE 121.05
    2-butoxyethanol 104.43
    propionic acid 22.21
    o-xylene 125.28
    formic acid 2.13
    diethyl ether 149.23
    m-xylene 175.85
    p-xylene 110.12
    chlorobenzene 143.33
    dimethyl carbonate 49.38
    n-octane 11.75
    formamide 3.8
    cyclopentanone 243.68
    2-pentanone 137.88
    anisole 134.11
    cyclopentyl methyl ether 294.74
    gamma-butyrolactone 171.13
    1-methoxy-2-propanol 58.56
    pyridine 156.26
    3-pentanone 126.7
    furfural 105.24
    n-dodecane 5.49
    diethylene glycol 25.22
    diisopropyl ether 107.92
    tert-amyl alcohol 36.56
    acetylacetone 154.0
    n-hexadecane 6.96
    acetophenone 113.33
    methyl propionate 96.22
    isopentyl acetate 210.24
    trichloroethylene 180.29
    n-nonanol 54.01
    cyclohexanol 75.45
    benzyl alcohol 53.56
    2-ethylhexanol 80.21
    isooctanol 64.66
    dipropyl ether 191.84
    1,2-dichlorobenzene 138.15
    ethyl lactate 34.24
    propylene carbonate 101.47
    n-methylformamide 14.34
    2-pentanol 48.86
    n-pentane 32.52
    1-propoxy-2-propanol 129.64
    1-methoxy-2-propyl acetate 238.59
    2-(2-methoxypropoxy) propanol 97.79
    mesitylene 123.95
    ε-caprolactone 203.92
    p-cymene 89.33
    epichlorohydrin 165.61
    1,1,1-trichloroethane 142.92
    2-aminoethanol 4.67
    morpholine-4-carbaldehyde 164.58
    sulfolane 162.52
    2,2,4-trimethylpentane 22.82
    2-methyltetrahydrofuran 260.69
    n-hexyl acetate 164.4
    isooctane 22.58
    2-(2-butoxyethoxy)ethanol 119.51
    sec-butyl acetate 105.37
    tert-butyl acetate 216.39
    decalin 32.03
    glycerin 5.57
    diglyme 255.3
    acrylic acid 15.14
    isopropyl myristate 80.52
    n-butyric acid 62.34
    acetyl acetate 91.39
    di(2-ethylhexyl) phthalate 61.17
    ethyl propionate 99.03
    nitromethane 28.79
    1,2-diethoxyethane 159.52
    benzonitrile 60.79
    trioctyl phosphate 49.62
    1-bromopropane 97.29
    gamma-valerolactone 266.22
    n-decanol 36.38
    triethyl phosphate 86.45
    4-methyl-2-pentanol 51.98
    propionitrile 30.73
    vinylene carbonate 83.07
    1,1,2-trichlorotrifluoroethane 66.73
    DMS 105.85
    cumene 65.81
    2-octanol 40.86
    2-hexanone 94.5
    octyl acetate 84.36
    limonene 116.92
    1,2-dimethoxyethane 110.14
    ethyl orthosilicate 100.22
    tributyl phosphate 53.08
    diacetone alcohol 108.44
    N,N-dimethylaniline 108.95
    acrylonitrile 23.01
    aniline 97.15
    1,3-propanediol 16.01
    bromobenzene 192.87
    dibromomethane 101.36
    1,1,2,2-tetrachloroethane 148.96
    2-methyl-cyclohexyl acetate 155.5
    tetrabutyl urea 76.62
    diisobutyl methanol 67.96
    2-phenylethanol 92.91
    styrene 91.33
    dioctyl adipate 100.37
    dimethyl sulfate 69.56
    ethyl butyrate 151.83
    methyl lactate 29.47
    butyl lactate 84.2
    diethyl carbonate 87.55
    propanediol butyl ether 48.22
    triethyl orthoformate 159.37
    p-tert-butyltoluene 98.05
    methyl 4-tert-butylbenzoate 167.75
    morpholine 164.78
    tert-butylamine 34.96
    n-dodecanol 25.83
    dimethoxymethane 117.17
    ethylene carbonate 82.17
    cyrene 86.08
    2-ethoxyethyl acetate 183.57
    2-ethylhexyl acetate 199.2
    1,2,4-trichlorobenzene 166.2
    4-methylpyridine 174.65
    dibutyl ether 101.7
    2,6-dimethyl-4-heptanol 67.96
    DEF 135.57
    dimethyl isosorbide 225.41
    tetrachloroethylene 101.34
    eugenol 110.35
    triacetin 140.61
    span 80 86.79
    1,4-butanediol 6.59
    1,1-dichloroethane 95.6
    2-methyl-1-pentanol 47.26
    methyl formate 12.17
    2-methyl-1-butanol 55.19
    n-decane 14.67
    butyronitrile 42.07
    3,7-dimethyl-1-octanol 58.62
    1-chlorooctane 50.66
    1-chlorotetradecane 18.12
    n-nonane 12.72
    undecane 8.37
    tert-butylcyclohexane 30.56
    cyclooctane 30.67
    cyclopentanol 60.24
    tetrahydropyran 255.71
    tert-amyl methyl ether 107.49
    2,5,8-trioxanonane 152.9
    1-hexene 58.75
    2-isopropoxyethanol 49.1
    2,2,2-trifluoroethanol 10.59
    methyl butyrate 96.24

    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