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

Overview IFRA Request a quote

  • Identifiers

    CAS number
    27321-96-6

    Molecular formula
    C29H50O2

    SMILES
    CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OCCO)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 78.94%
    Sandalwood 54.11%
    Amber 46.84%
    Waxy 41.16%
    Balsamic 40.4%
    Dry 37.99%
    Floral 37.78%
    Vetiver 34.62%
    Cedar 32.18%
    Musk 30.93%

     

    Flavor
    Woody 35.99%
    Waxy 30.08%
    Wood 29.91%
    Herb 29.59%
    Herbal 26.73%
    Mild 26.27%
    Spice 26.15%
    Balsam 24.35%
    Sweet 24.11%
    Green 22.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.4

    pKa est.
    7.12 (neutral)

    Molecular weight
    430.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    522°C

    Flash point

    • 230.0 ˚C est.

  • Synonyms

    • 27321-96-6
    • 2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanol
    • 30788-35-3
    • SCHEMBL29355804
    • DTXSID20927104
    • 2-(Cholest-5-en-3-yloxy)ethanol
    • Cl-4494
    • NSC226875
    • AKOS024434643
    • NSC-226875
    • DA-49287
    • 2-[(Cholest-5-en-3-yl)oxy]ethan-1-ol
    • NS00013463
    • 131175-15-0
    • 2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13- dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[ a]phenanthren-3-yl]oxy]ethanol
    • 27321-96-6

  • Applications

    2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanol (CAS 27321-96-6) is a steroid-like ether and is primarily used as an intermediate in pharmaceutical steroid synthesis, providing a versatile building block for subsequent elaboration into active pharmaceutical ingredients. In cosmetics and personal care, it may be evaluated as a scaffold for the development of steroid-based actives and related formulation components, within applicable regulatory boundaries. In fragrance and perfumery, some steroid-derived ethers are explored as fragrance ingredients or fixatives, with use dependent on regulatory approval. In laboratory and process development settings, it serves as a reference material for method development, reaction screening, and scale-up studies. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.57
    methanol 4.85
    isopropanol 14.18
    water 0.09
    ethyl acetate 32.7
    n-propanol 23.8
    acetone 28.2
    n-butanol 32.43
    acetonitrile 6.56
    DMF 13.67
    toluene 61.13
    isobutanol 19.15
    1,4-dioxane 69.7
    methyl acetate 16.65
    THF 104.93
    2-butanone 30.37
    n-pentanol 23.75
    sec-butanol 10.08
    n-hexane 3.37
    ethylene glycol 0.76
    NMP 34.89
    cyclohexane 10.01
    DMSO 12.14
    n-butyl acetate 45.67
    n-octanol 18.33
    chloroform 96.19
    n-propyl acetate 29.68
    acetic acid 11.65
    dichloromethane 65.76
    cyclohexanone 72.42
    propylene glycol 1.73
    isopropyl acetate 41.76
    DMAc 36.05
    2-ethoxyethanol 33.08
    isopentanol 32.34
    n-heptane 5.83
    ethyl formate 11.44
    1,2-dichloroethane 43.05
    n-hexanol 31.27
    2-methoxyethanol 26.79
    isobutyl acetate 33.66
    tetrachloromethane 20.71
    n-pentyl acetate 51.26
    transcutol 191.94
    n-heptanol 28.45
    ethylbenzene 24.79
    MIBK 43.87
    2-propoxyethanol 65.63
    tert-butanol 12.64
    MTBE 24.16
    2-butoxyethanol 61.38
    propionic acid 10.03
    o-xylene 32.45
    formic acid 2.82
    diethyl ether 44.47
    m-xylene 44.08
    p-xylene 25.96
    chlorobenzene 47.89
    dimethyl carbonate 12.0
    n-octane 1.63
    formamide 3.95
    cyclopentanone 59.15
    2-pentanone 41.7
    anisole 46.33
    cyclopentyl methyl ether 59.55
    gamma-butyrolactone 44.28
    1-methoxy-2-propanol 31.08
    pyridine 58.36
    3-pentanone 33.88
    furfural 38.97
    n-dodecane 1.07
    diethylene glycol 20.48
    diisopropyl ether 18.65
    tert-amyl alcohol 9.37
    acetylacetone 47.06
    n-hexadecane 1.32
    acetophenone 40.76
    methyl propionate 25.8
    isopentyl acetate 59.19
    trichloroethylene 75.53
    n-nonanol 22.25
    cyclohexanol 25.93
    benzyl alcohol 29.75
    2-ethylhexanol 27.69
    isooctanol 27.0
    dipropyl ether 41.56
    1,2-dichlorobenzene 42.52
    ethyl lactate 15.23
    propylene carbonate 28.49
    n-methylformamide 6.23
    2-pentanol 16.77
    n-pentane 4.43
    1-propoxy-2-propanol 53.91
    1-methoxy-2-propyl acetate 73.66
    2-(2-methoxypropoxy) propanol 48.75
    mesitylene 26.29
    ε-caprolactone 64.23
    p-cymene 24.39
    epichlorohydrin 64.04
    1,1,1-trichloroethane 40.62
    2-aminoethanol 3.78
    morpholine-4-carbaldehyde 48.56
    sulfolane 41.81
    2,2,4-trimethylpentane 2.84
    2-methyltetrahydrofuran 60.68
    n-hexyl acetate 48.24
    isooctane 2.98
    2-(2-butoxyethoxy)ethanol 68.83
    sec-butyl acetate 29.35
    tert-butyl acetate 49.29
    decalin 5.47
    glycerin 3.97
    diglyme 128.27
    acrylic acid 7.09
    isopropyl myristate 21.48
    n-butyric acid 34.07
    acetyl acetate 29.72
    di(2-ethylhexyl) phthalate 25.05
    ethyl propionate 27.22
    nitromethane 14.85
    1,2-diethoxyethane 67.49
    benzonitrile 26.72
    trioctyl phosphate 16.94
    1-bromopropane 32.69
    gamma-valerolactone 91.29
    n-decanol 14.6
    triethyl phosphate 25.14
    4-methyl-2-pentanol 18.3
    propionitrile 12.82
    vinylene carbonate 28.77
    1,1,2-trichlorotrifluoroethane 34.17
    DMS 25.88
    cumene 19.05
    2-octanol 14.61
    2-hexanone 31.22
    octyl acetate 24.77
    limonene 27.97
    1,2-dimethoxyethane 55.04
    ethyl orthosilicate 30.27
    tributyl phosphate 17.09
    diacetone alcohol 38.46
    N,N-dimethylaniline 31.76
    acrylonitrile 10.62
    aniline 40.85
    1,3-propanediol 14.44
    bromobenzene 57.24
    dibromomethane 50.71
    1,1,2,2-tetrachloroethane 60.62
    2-methyl-cyclohexyl acetate 44.14
    tetrabutyl urea 23.53
    diisobutyl methanol 19.31
    2-phenylethanol 44.94
    styrene 27.01
    dioctyl adipate 32.36
    dimethyl sulfate 16.28
    ethyl butyrate 44.28
    methyl lactate 11.62
    butyl lactate 36.82
    diethyl carbonate 27.35
    propanediol butyl ether 30.27
    triethyl orthoformate 46.94
    p-tert-butyltoluene 22.27
    methyl 4-tert-butylbenzoate 54.72
    morpholine 65.51
    tert-butylamine 10.04
    n-dodecanol 9.5
    dimethoxymethane 39.42
    ethylene carbonate 29.44
    cyrene 40.9
    2-ethoxyethyl acetate 75.13
    2-ethylhexyl acetate 51.02
    1,2,4-trichlorobenzene 51.68
    4-methylpyridine 55.69
    dibutyl ether 22.67
    2,6-dimethyl-4-heptanol 19.31
    DEF 34.87
    dimethyl isosorbide 76.48
    tetrachloroethylene 46.39
    eugenol 50.17
    triacetin 52.76
    span 80 41.74
    1,4-butanediol 5.79
    1,1-dichloroethane 33.25
    2-methyl-1-pentanol 24.28
    methyl formate 4.82
    2-methyl-1-butanol 24.84
    n-decane 2.62
    butyronitrile 18.92
    3,7-dimethyl-1-octanol 21.1
    1-chlorooctane 12.25
    1-chlorotetradecane 3.9
    n-nonane 2.1
    undecane 1.57
    tert-butylcyclohexane 4.18
    cyclooctane 4.17
    cyclopentanol 17.05
    tetrahydropyran 80.53
    tert-amyl methyl ether 19.74
    2,5,8-trioxanonane 73.82
    1-hexene 10.66
    2-isopropoxyethanol 32.44
    2,2,2-trifluoroethanol 6.33
    methyl butyrate 29.61

    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