(2|A,6|A,9|A)-2-hydroxy-6,18-epoxypimara-7,15-dien-18-one

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  • Identifiers

    CAS number
    62394-07-4

    Molecular formula
    C20H28O3

    SMILES
    C[C@]1(CC[C@@H]2C(=C[C@@H]3[C@@H]4[C@@]2(C[C@@H](C[C@@]4(C(=O)O3)C)O)C)C1)C=C

    Safety labels

  • Odor profile

    Fragrance
    Woody 54.73%
    Spicy 43.67%
    Amber 30.1%
    Sweet 27.58%
    Fresh 26.33%
    Dry 25.68%
    Cedar 25.66%
    Tobacco 23.58%
    Balsamic 23.26%
    Animal 22.84%

     

    Flavor
    Bitter 66.8%
    Minty 27.22%
    Herbal 25.04%
    Fresh 24.93%
    Cedarleaf 23.22%
    Ripe apricot 21.25%
    Red fruit 20.79%
    Lovage 20.78%
    Woody 20.73%
    Parsley 19.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.04 (neutral)

    Molecular weight
    316.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    559°C

    Flash point

    • 212.55 ˚C est.

  • Synonyms

    • Momilactone C
    • 62394-07-4
    • (2|A,6|A,9|A)-2-hydroxy-6,18-epoxypimara-7,15-dien-18-one
    • 67044-45-5
    • DTXSID20276684
    • CHEBI:191644
    • (1R,2R,5R,9R,12S,14S,16R)-5-ethenyl-14-hydroxy-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-en-11-one
    • A)-2-hydroxy-6,18-epoxypimara-7,15-dien-18-one
    • 2beta-Hydroxy-6beta,9beta-6,18-epoxypimara-7,15-dien-18-one
    • A,9
    • 62394-07-4

  • Applications

    (2|A,6|A,9|A)-2-hydroxy-6,18-epoxypimara-7,15-dien-18-one (CAS 62394-07-4) is viewed as a synthetic intermediate and building block for terpenoid chemistry; in practical terms it may serve as a basis for fragrance chemicals in perfumery, as an intermediate in cosmetic/personal care formulations, and may be studied for applications in household products, industrial manufacturing, polymers/plastics, and pharmaceutical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 44.29
    methanol 83.76
    isopropanol 83.78
    water 0.29
    ethyl acetate 65.36
    n-propanol 73.43
    acetone 88.3
    n-butanol 91.16
    acetonitrile 52.85
    DMF 354.34
    toluene 91.11
    isobutanol 64.3
    1,4-dioxane 172.41
    methyl acetate 56.53
    THF 501.48
    2-butanone 84.37
    n-pentanol 40.75
    sec-butanol 33.4
    n-hexane 0.86
    ethylene glycol 13.77
    NMP 176.49
    cyclohexane 3.03
    DMSO 119.41
    n-butyl acetate 56.14
    n-octanol 22.21
    chloroform 265.3
    n-propyl acetate 43.79
    acetic acid 81.46
    dichloromethane 143.6
    cyclohexanone 149.62
    propylene glycol 23.37
    isopropyl acetate 64.61
    DMAc 170.67
    2-ethoxyethanol 72.32
    isopentanol 81.81
    n-heptane 1.15
    ethyl formate 44.78
    1,2-dichloroethane 83.54
    n-hexanol 56.67
    2-methoxyethanol 165.21
    isobutyl acetate 46.09
    tetrachloromethane 18.78
    n-pentyl acetate 48.9
    transcutol 213.97
    n-heptanol 33.55
    ethylbenzene 23.97
    MIBK 71.5
    2-propoxyethanol 164.0
    tert-butanol 71.61
    MTBE 26.16
    2-butoxyethanol 82.32
    propionic acid 45.09
    o-xylene 33.82
    formic acid 38.68
    diethyl ether 35.5
    m-xylene 61.35
    p-xylene 30.81
    chlorobenzene 78.15
    dimethyl carbonate 59.77
    n-octane 0.6
    formamide 56.2
    cyclopentanone 228.6
    2-pentanone 88.67
    anisole 59.19
    cyclopentyl methyl ether 111.49
    gamma-butyrolactone 206.0
    1-methoxy-2-propanol 177.89
    pyridine 165.67
    3-pentanone 56.97
    furfural 164.46
    n-dodecane 0.72
    diethylene glycol 123.5
    diisopropyl ether 13.54
    tert-amyl alcohol 26.35
    acetylacetone 106.61
    n-hexadecane 0.89
    acetophenone 65.42
    methyl propionate 68.76
    isopentyl acetate 62.87
    trichloroethylene 198.83
    n-nonanol 24.13
    cyclohexanol 60.43
    benzyl alcohol 68.56
    2-ethylhexanol 26.61
    isooctanol 27.94
    dipropyl ether 22.44
    1,2-dichlorobenzene 66.0
    ethyl lactate 41.93
    propylene carbonate 102.61
    n-methylformamide 114.13
    2-pentanol 44.46
    n-pentane 1.45
    1-propoxy-2-propanol 102.13
    1-methoxy-2-propyl acetate 96.74
    2-(2-methoxypropoxy) propanol 71.19
    mesitylene 27.71
    ε-caprolactone 117.51
    p-cymene 16.62
    epichlorohydrin 236.36
    1,1,1-trichloroethane 64.25
    2-aminoethanol 40.48
    morpholine-4-carbaldehyde 216.94
    sulfolane 183.9
    2,2,4-trimethylpentane 1.06
    2-methyltetrahydrofuran 126.03
    n-hexyl acetate 56.68
    isooctane 1.48
    2-(2-butoxyethoxy)ethanol 96.91
    sec-butyl acetate 37.25
    tert-butyl acetate 61.9
    decalin 2.14
    glycerin 54.58
    diglyme 157.1
    acrylic acid 47.65
    isopropyl myristate 24.75
    n-butyric acid 94.4
    acetyl acetate 59.31
    di(2-ethylhexyl) phthalate 35.49
    ethyl propionate 41.76
    nitromethane 120.95
    1,2-diethoxyethane 55.76
    benzonitrile 87.32
    trioctyl phosphate 26.05
    1-bromopropane 39.25
    gamma-valerolactone 281.64
    n-decanol 16.71
    triethyl phosphate 26.91
    4-methyl-2-pentanol 37.59
    propionitrile 64.57
    vinylene carbonate 108.85
    1,1,2-trichlorotrifluoroethane 134.18
    DMS 55.57
    cumene 16.06
    2-octanol 18.56
    2-hexanone 46.41
    octyl acetate 31.14
    limonene 17.77
    1,2-dimethoxyethane 123.09
    ethyl orthosilicate 26.38
    tributyl phosphate 27.25
    diacetone alcohol 90.46
    N,N-dimethylaniline 41.69
    acrylonitrile 89.63
    aniline 95.81
    1,3-propanediol 87.54
    bromobenzene 78.35
    dibromomethane 83.87
    1,1,2,2-tetrachloroethane 152.28
    2-methyl-cyclohexyl acetate 46.91
    tetrabutyl urea 37.79
    diisobutyl methanol 18.74
    2-phenylethanol 79.83
    styrene 28.17
    dioctyl adipate 38.12
    dimethyl sulfate 81.91
    ethyl butyrate 40.34
    methyl lactate 68.65
    butyl lactate 51.97
    diethyl carbonate 30.18
    propanediol butyl ether 67.77
    triethyl orthoformate 36.32
    p-tert-butyltoluene 16.08
    methyl 4-tert-butylbenzoate 66.16
    morpholine 217.41
    tert-butylamine 28.72
    n-dodecanol 11.52
    dimethoxymethane 222.98
    ethylene carbonate 92.91
    cyrene 88.3
    2-ethoxyethyl acetate 76.52
    2-ethylhexyl acetate 45.83
    1,2,4-trichlorobenzene 80.77
    4-methylpyridine 164.38
    dibutyl ether 16.34
    2,6-dimethyl-4-heptanol 18.74
    DEF 79.58
    dimethyl isosorbide 130.5
    tetrachloroethylene 83.13
    eugenol 76.2
    triacetin 60.1
    span 80 57.85
    1,4-butanediol 28.7
    1,1-dichloroethane 79.74
    2-methyl-1-pentanol 35.57
    methyl formate 81.14
    2-methyl-1-butanol 51.42
    n-decane 1.27
    butyronitrile 70.46
    3,7-dimethyl-1-octanol 24.7
    1-chlorooctane 9.01
    1-chlorotetradecane 3.59
    n-nonane 0.92
    undecane 0.92
    tert-butylcyclohexane 1.83
    cyclooctane 1.22
    cyclopentanol 76.11
    tetrahydropyran 133.2
    tert-amyl methyl ether 19.47
    2,5,8-trioxanonane 103.1
    1-hexene 5.78
    2-isopropoxyethanol 55.11
    2,2,2-trifluoroethanol 35.98
    methyl butyrate 53.22

    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