(4aS,4bS,5S,7S,10aR)-7-Ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-5,10a-dihydroxy-1,1,4b,7-tetramethyl-9(1H)-phenanthrenone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    62574-18-9

    Molecular formula
    C20H30O3

    SMILES
    C[C@]1(C[C@@H]([C@]2([C@@H]3CCCC([C@]3(CC(=O)C2=C1)O)(C)C)C)O)C=C

    Safety labels

  • Odor profile

    Fragrance
    Woody 61.94%
    Spicy 44.28%
    Herbal 43.96%
    Mint 39.86%
    Camphoreous 39.63%
    Earthy 34.59%
    Fresh 33.57%
    Sweet 29.99%
    Cedar 29.11%
    Cooling 29.04%

     

    Flavor
    Bitter 69.59%
    Minty 37.64%
    Herbal 24.2%
    Fresh 23.23%
    Camphor 23.0%
    Cedarleaf 22.75%
    Woody 21.75%
    Ripe apricot 20.86%
    Red fruit 20.41%
    Spicy 20.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.34 (neutral)

    Molecular weight
    318.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    561°C

    Melting point expt.

    • 206 - 209 °C

    Flash point

    • 204.37 ˚C est.

  • Synonyms

    • Ineketone
    • 62574-18-9
    • RefChem:1050465
    • (4aS,4bS,5S,7S,10aR)-7-Ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-5,10a-dihydroxy-1,1,4b,7-tetramethyl-9(1H)-phenanthrenone
    • (4aS,4bS,5S,7S,10aR)-7-ethenyl-5,10a-dihydroxy-1,1,4b,7-tetramethyl-3,4,4a,5,6,10-hexahydro-2H-phenanthren-9-one
    • C09110
    • CHEBI:5920
    • SCHEMBL29782251
    • DTXSID00978154
    • 5,11-Dihydroxyrosa-8(14),15-dien-7-one
    • Q27106929
    • 5,11beta-Dihydroxy-5beta-rosa-8(14),15-dien-7-one
    • 62574-18-9

  • Applications

    For the compound (4aS,4bS,5S,7S,10aR)-7-Ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-5,10a-dihydroxy-1,1,4b,7-tetramethyl-9(1H)-phenanthrenone (CAS 62574-18-9), potential applications are largely aligned with its role as a polycyclic, hydroxy- and vinyl-substituted framework. It may be used as an intermediate in organic synthesis and as a building block for complex pharmaceuticals; may be evaluated for fragrance or cosmetic ingredient development; could serve in polymer or plastics chemistry as a functional monomer or additive arising from the vinyl group; may find use in coatings and inks as a functional precursor or stabilizing component; and can be considered for industrial manufacturing contexts where specialized organic intermediates are required, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 54.62
    methanol 72.01
    isopropanol 67.45
    water 0.15
    ethyl acetate 32.59
    n-propanol 63.77
    acetone 58.72
    n-butanol 54.36
    acetonitrile 21.96
    DMF 292.23
    toluene 30.77
    isobutanol 43.68
    1,4-dioxane 117.48
    methyl acetate 33.71
    THF 295.24
    2-butanone 54.9
    n-pentanol 30.64
    sec-butanol 31.88
    n-hexane 0.65
    ethylene glycol 16.29
    NMP 93.45
    cyclohexane 1.41
    DMSO 132.55
    n-butyl acetate 35.09
    n-octanol 17.59
    chloroform 104.9
    n-propyl acetate 26.26
    acetic acid 25.96
    dichloromethane 57.19
    cyclohexanone 79.06
    propylene glycol 27.35
    isopropyl acetate 30.25
    DMAc 137.5
    2-ethoxyethanol 65.22
    isopentanol 41.95
    n-heptane 0.73
    ethyl formate 27.44
    1,2-dichloroethane 39.15
    n-hexanol 43.02
    2-methoxyethanol 133.65
    isobutyl acetate 24.14
    tetrachloromethane 11.98
    n-pentyl acetate 32.89
    transcutol 64.76
    n-heptanol 28.6
    ethylbenzene 16.47
    MIBK 36.7
    2-propoxyethanol 116.34
    tert-butanol 54.19
    MTBE 18.6
    2-butoxyethanol 60.68
    propionic acid 22.67
    o-xylene 17.15
    formic acid 18.14
    diethyl ether 23.18
    m-xylene 22.19
    p-xylene 21.09
    chlorobenzene 29.52
    dimethyl carbonate 32.79
    n-octane 0.6
    formamide 35.93
    cyclopentanone 131.27
    2-pentanone 47.57
    anisole 39.65
    cyclopentyl methyl ether 49.88
    gamma-butyrolactone 104.87
    1-methoxy-2-propanol 131.64
    pyridine 84.25
    3-pentanone 31.49
    furfural 85.19
    n-dodecane 0.48
    diethylene glycol 87.17
    diisopropyl ether 6.63
    tert-amyl alcohol 25.75
    acetylacetone 59.28
    n-hexadecane 0.59
    acetophenone 42.65
    methyl propionate 39.09
    isopentyl acetate 37.68
    trichloroethylene 88.75
    n-nonanol 18.51
    cyclohexanol 32.07
    benzyl alcohol 44.22
    2-ethylhexanol 19.46
    isooctanol 21.9
    dipropyl ether 14.73
    1,2-dichlorobenzene 28.54
    ethyl lactate 25.46
    propylene carbonate 50.04
    n-methylformamide 81.88
    2-pentanol 27.47
    n-pentane 0.82
    1-propoxy-2-propanol 68.55
    1-methoxy-2-propyl acetate 56.74
    2-(2-methoxypropoxy) propanol 40.73
    mesitylene 12.58
    ε-caprolactone 60.46
    p-cymene 11.02
    epichlorohydrin 122.95
    1,1,1-trichloroethane 34.24
    2-aminoethanol 39.7
    morpholine-4-carbaldehyde 135.34
    sulfolane 116.12
    2,2,4-trimethylpentane 0.67
    2-methyltetrahydrofuran 65.72
    n-hexyl acetate 35.35
    isooctane 0.78
    2-(2-butoxyethoxy)ethanol 52.5
    sec-butyl acetate 20.39
    tert-butyl acetate 33.7
    decalin 1.49
    glycerin 44.66
    diglyme 84.74
    acrylic acid 22.44
    isopropyl myristate 14.44
    n-butyric acid 39.62
    acetyl acetate 25.14
    di(2-ethylhexyl) phthalate 21.57
    ethyl propionate 25.07
    nitromethane 56.91
    1,2-diethoxyethane 30.25
    benzonitrile 42.42
    trioctyl phosphate 17.02
    1-bromopropane 18.57
    gamma-valerolactone 154.65
    n-decanol 12.82
    triethyl phosphate 17.11
    4-methyl-2-pentanol 20.52
    propionitrile 32.85
    vinylene carbonate 52.81
    1,1,2-trichlorotrifluoroethane 79.02
    DMS 31.88
    cumene 11.39
    2-octanol 15.97
    2-hexanone 32.92
    octyl acetate 20.13
    limonene 11.44
    1,2-dimethoxyethane 105.83
    ethyl orthosilicate 16.17
    tributyl phosphate 15.55
    diacetone alcohol 56.46
    N,N-dimethylaniline 30.18
    acrylonitrile 46.45
    aniline 41.07
    1,3-propanediol 64.32
    bromobenzene 26.23
    dibromomethane 35.92
    1,1,2,2-tetrachloroethane 72.82
    2-methyl-cyclohexyl acetate 28.47
    tetrabutyl urea 26.23
    diisobutyl methanol 11.65
    2-phenylethanol 54.47
    styrene 17.33
    dioctyl adipate 22.49
    dimethyl sulfate 52.09
    ethyl butyrate 24.33
    methyl lactate 41.33
    butyl lactate 31.77
    diethyl carbonate 17.52
    propanediol butyl ether 46.63
    triethyl orthoformate 21.05
    p-tert-butyltoluene 10.59
    methyl 4-tert-butylbenzoate 45.2
    morpholine 146.8
    tert-butylamine 20.33
    n-dodecanol 8.44
    dimethoxymethane 155.02
    ethylene carbonate 42.28
    cyrene 58.33
    2-ethoxyethyl acetate 43.25
    2-ethylhexyl acetate 27.59
    1,2,4-trichlorobenzene 35.05
    4-methylpyridine 76.83
    dibutyl ether 10.21
    2,6-dimethyl-4-heptanol 11.65
    DEF 49.77
    dimethyl isosorbide 79.67
    tetrachloroethylene 43.67
    eugenol 50.77
    triacetin 31.83
    span 80 35.6
    1,4-butanediol 22.96
    1,1-dichloroethane 37.46
    2-methyl-1-pentanol 24.29
    methyl formate 59.89
    2-methyl-1-butanol 31.21
    n-decane 0.97
    butyronitrile 35.75
    3,7-dimethyl-1-octanol 16.79
    1-chlorooctane 6.98
    1-chlorotetradecane 2.36
    n-nonane 0.74
    undecane 0.66
    tert-butylcyclohexane 1.42
    cyclooctane 0.65
    cyclopentanol 45.62
    tetrahydropyran 72.46
    tert-amyl methyl ether 13.96
    2,5,8-trioxanonane 57.37
    1-hexene 4.66
    2-isopropoxyethanol 44.85
    2,2,2-trifluoroethanol 16.14
    methyl butyrate 33.83

    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