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

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  • Identifiers

    CAS number
    25605-88-3

    Molecular formula
    C42H74O2

    SMILES
    CCCCCCCCCCCCCCC(=O)OC1CC[C@@]2(C3CC[C@@]4([C@H](CCC4C3CC=C2C1)[C@H](C)CCCC(C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 64.23%
    Woody 57.21%
    Oily 41.37%
    Fatty 40.63%
    Balsamic 38.09%
    Sandalwood 37.08%
    Amber 30.94%
    Floral 28.72%
    Dry 24.05%
    Green 23.74%

     

    Flavor
    Waxy 34.94%
    Mild 29.78%
    Bland 25.3%
    Oily 24.17%
    Fatty 24.1%
    Faint 22.84%
    Woody 22.55%
    Slightly waxy 22.02%
    Delicate 21.07%
    Sandalwood 20.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.9

    pKa est.
    0.09 (strong acid)

    Molecular weight
    611.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    599°C

    Flash point

    • 177.17 ˚C est.

  • Synonyms

    • SCHEMBL1951211
    • 25605-88-3
    • 25605-88-3

  • Applications

    Chemical name: [(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] pentadecanoate; CAS number: 25605-88-3. In pharmaceutical manufacturing, this steroid ester is primarily used as a long-chain fatty acid ester that can form prodrugs and support extended-release formulations; it is also employed as an intermediate in steroid synthesis. Its lipophilic character makes it suitable for depot-type formulations and for exploring steroid scaffold chemistry in research and development. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.44
    methanol 7.97
    isopropanol 16.22
    water 0.07
    ethyl acetate 79.04
    n-propanol 34.44
    acetone 41.78
    n-butanol 42.29
    acetonitrile 11.55
    DMF 44.53
    toluene 110.97
    isobutanol 29.45
    1,4-dioxane 91.8
    methyl acetate 42.97
    THF 193.14
    2-butanone 77.91
    n-pentanol 35.75
    sec-butanol 25.3
    n-hexane 11.8
    ethylene glycol 0.95
    NMP 161.15
    cyclohexane 24.01
    DMSO 24.06
    n-butyl acetate 95.41
    n-octanol 25.48
    chloroform 246.96
    n-propyl acetate 69.83
    acetic acid 26.79
    dichloromethane 202.53
    cyclohexanone 192.68
    propylene glycol 2.71
    isopropyl acetate 82.86
    DMAc 128.09
    2-ethoxyethanol 42.83
    isopentanol 40.75
    n-heptane 10.65
    ethyl formate 27.04
    1,2-dichloroethane 109.64
    n-hexanol 41.46
    2-methoxyethanol 33.38
    isobutyl acetate 63.86
    tetrachloromethane 53.43
    n-pentyl acetate 118.72
    transcutol 178.91
    n-heptanol 37.09
    ethylbenzene 55.18
    MIBK 74.95
    2-propoxyethanol 84.52
    tert-butanol 15.14
    MTBE 45.35
    2-butoxyethanol 83.29
    propionic acid 27.5
    o-xylene 66.1
    formic acid 5.88
    diethyl ether 71.78
    m-xylene 69.03
    p-xylene 57.85
    chlorobenzene 131.7
    dimethyl carbonate 30.6
    n-octane 3.5
    formamide 8.12
    cyclopentanone 171.38
    2-pentanone 89.95
    anisole 82.74
    cyclopentyl methyl ether 142.63
    gamma-butyrolactone 151.6
    1-methoxy-2-propanol 44.75
    pyridine 129.78
    3-pentanone 88.8
    furfural 103.34
    n-dodecane 2.02
    diethylene glycol 20.02
    diisopropyl ether 29.25
    tert-amyl alcohol 23.47
    acetylacetone 91.54
    n-hexadecane 2.5
    acetophenone 86.16
    methyl propionate 69.38
    isopentyl acetate 104.81
    trichloroethylene 219.84
    n-nonanol 30.76
    cyclohexanol 55.92
    benzyl alcohol 51.3
    2-ethylhexanol 40.75
    isooctanol 35.44
    dipropyl ether 67.72
    1,2-dichlorobenzene 122.67
    ethyl lactate 31.54
    propylene carbonate 91.0
    n-methylformamide 19.63
    2-pentanol 30.71
    n-pentane 11.54
    1-propoxy-2-propanol 73.97
    1-methoxy-2-propyl acetate 120.56
    2-(2-methoxypropoxy) propanol 70.68
    mesitylene 41.65
    ε-caprolactone 202.88
    p-cymene 38.56
    epichlorohydrin 166.67
    1,1,1-trichloroethane 123.08
    2-aminoethanol 5.4
    morpholine-4-carbaldehyde 120.76
    sulfolane 155.04
    2,2,4-trimethylpentane 7.56
    2-methyltetrahydrofuran 164.95
    n-hexyl acetate 106.14
    isooctane 4.78
    2-(2-butoxyethoxy)ethanol 84.73
    sec-butyl acetate 69.41
    tert-butyl acetate 87.95
    decalin 13.29
    glycerin 5.29
    diglyme 166.68
    acrylic acid 19.41
    isopropyl myristate 38.9
    n-butyric acid 74.13
    acetyl acetate 61.58
    di(2-ethylhexyl) phthalate 46.25
    ethyl propionate 73.83
    nitromethane 37.81
    1,2-diethoxyethane 88.64
    benzonitrile 48.1
    trioctyl phosphate 29.74
    1-bromopropane 98.14
    gamma-valerolactone 227.64
    n-decanol 19.01
    triethyl phosphate 51.45
    4-methyl-2-pentanol 25.75
    propionitrile 24.74
    vinylene carbonate 82.33
    1,1,2-trichlorotrifluoroethane 84.7
    DMS 64.73
    cumene 36.42
    2-octanol 23.02
    2-hexanone 75.39
    octyl acetate 48.37
    limonene 50.36
    1,2-dimethoxyethane 72.48
    ethyl orthosilicate 57.1
    tributyl phosphate 35.09
    diacetone alcohol 62.72
    N,N-dimethylaniline 58.7
    acrylonitrile 20.61
    aniline 73.79
    1,3-propanediol 16.25
    bromobenzene 160.31
    dibromomethane 148.64
    1,1,2,2-tetrachloroethane 185.08
    2-methyl-cyclohexyl acetate 87.72
    tetrabutyl urea 49.01
    diisobutyl methanol 26.14
    2-phenylethanol 64.17
    styrene 60.75
    dioctyl adipate 63.53
    dimethyl sulfate 51.77
    ethyl butyrate 88.5
    methyl lactate 26.23
    butyl lactate 73.27
    diethyl carbonate 52.75
    propanediol butyl ether 38.54
    triethyl orthoformate 81.93
    p-tert-butyltoluene 34.48
    methyl 4-tert-butylbenzoate 102.64
    morpholine 114.93
    tert-butylamine 13.69
    n-dodecanol 12.27
    dimethoxymethane 60.72
    ethylene carbonate 81.32
    cyrene 77.05
    2-ethoxyethyl acetate 147.02
    2-ethylhexyl acetate 101.38
    1,2,4-trichlorobenzene 149.56
    4-methylpyridine 132.0
    dibutyl ether 42.79
    2,6-dimethyl-4-heptanol 26.14
    DEF 102.19
    dimethyl isosorbide 142.81
    tetrachloroethylene 124.45
    eugenol 80.59
    triacetin 112.02
    span 80 67.2
    1,4-butanediol 6.76
    1,1-dichloroethane 99.58
    2-methyl-1-pentanol 39.79
    methyl formate 14.31
    2-methyl-1-butanol 44.8
    n-decane 5.15
    butyronitrile 34.08
    3,7-dimethyl-1-octanol 29.48
    1-chlorooctane 25.78
    1-chlorotetradecane 7.67
    n-nonane 4.25
    undecane 2.99
    tert-butylcyclohexane 9.34
    cyclooctane 10.12
    cyclopentanol 45.47
    tetrahydropyran 159.76
    tert-amyl methyl ether 52.67
    2,5,8-trioxanonane 97.93
    1-hexene 35.68
    2-isopropoxyethanol 41.93
    2,2,2-trifluoroethanol 16.23
    methyl butyrate 83.9

    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