(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-2-carboxylic acid

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  • Identifiers

    CAS number
    17991-81-0

    Molecular formula
    C30H46O3

    SMILES
    C[C@]12CC[C@](CC1=C3C=C[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O

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  • Odor profile

    Fragrance
    Woody 84.18%
    Amber 58.85%
    Dry 51.66%
    Musk 48.47%
    Cedar 47.95%
    Sandalwood 42.44%
    Vetiver 36.0%
    Balsamic 35.97%
    Powdery 33.78%
    Animal 33.64%

     

    Flavor
    Woody 65.8%
    Camphor 49.36%
    Pine 44.07%
    Sweet 43.86%
    Balsam 40.62%
    Herbal 35.78%
    Dry 34.51%
    Earthy 32.91%
    Spicy 30.87%
    Fresh 30.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    6.58 (neutral)

    Molecular weight
    454.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    386°C

    Flash point

    • 266.57 ˚C est.

  • Synonyms

    • 17991-81-0
    • (3?,20?)-3-Hydroxy-oleana-11,13(18)-dien-29-oic acid
    • DTXSID001223520
    • 3beta-Hydroxyoleana-11,13(18)-dien-30-oic acid
    • (3I(2),20I(2))-3-Hydroxyoleana-11,13(18)-dien-29-oic acid
    • 17991-81-0

  • Applications

    CAS 17991-81-0 (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-2-carboxylic acid is primarily used as an intermediate in the synthesis of polycyclic terpenoid derivatives and serves as a chiral building block for asymmetric synthesis. It can also provide a scaffold for fragrance ingredient development in perfumery and is evaluated as a potential pharmaceutical intermediate in complex organic synthesis. Additionally, its functional groups enable conversion to materials for polymers, coatings, or inks, and it is used in research as a substrate for catalytic and stereoselective transformations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.4
    methanol 6.65
    isopropanol 8.95
    water 0.0
    ethyl acetate 6.14
    n-propanol 16.76
    acetone 5.65
    n-butanol 14.81
    acetonitrile 1.55
    DMF 63.43
    toluene 9.05
    isobutanol 9.98
    1,4-dioxane 35.18
    methyl acetate 4.95
    THF 58.03
    2-butanone 10.24
    n-pentanol 9.67
    sec-butanol 7.87
    n-hexane 0.42
    ethylene glycol 0.78
    NMP 30.94
    cyclohexane 0.36
    DMSO 8.64
    n-butyl acetate 6.87
    n-octanol 4.23
    chloroform 19.67
    n-propyl acetate 4.51
    acetic acid 3.85
    dichloromethane 9.2
    cyclohexanone 14.54
    propylene glycol 2.54
    isopropyl acetate 6.67
    DMAc 37.16
    2-ethoxyethanol 17.19
    isopentanol 9.15
    n-heptane 0.36
    ethyl formate 2.5
    1,2-dichloroethane 5.81
    n-hexanol 11.04
    2-methoxyethanol 26.91
    isobutyl acetate 4.77
    tetrachloromethane 2.51
    n-pentyl acetate 10.0
    transcutol 42.5
    n-heptanol 8.44
    ethylbenzene 4.15
    MIBK 7.27
    2-propoxyethanol 49.63
    tert-butanol 6.37
    MTBE 7.86
    2-butoxyethanol 27.17
    propionic acid 4.43
    o-xylene 4.38
    formic acid 1.68
    diethyl ether 10.53
    m-xylene 5.81
    p-xylene 3.88
    chlorobenzene 6.35
    dimethyl carbonate 6.4
    n-octane 0.14
    formamide 2.68
    cyclopentanone 21.06
    2-pentanone 9.89
    anisole 11.38
    cyclopentyl methyl ether 17.2
    gamma-butyrolactone 16.06
    1-methoxy-2-propanol 36.7
    pyridine 22.87
    3-pentanone 7.81
    furfural 13.94
    n-dodecane 0.06
    diethylene glycol 14.95
    diisopropyl ether 2.52
    tert-amyl alcohol 5.87
    acetylacetone 9.29
    n-hexadecane 0.07
    acetophenone 8.3
    methyl propionate 9.39
    isopentyl acetate 8.19
    trichloroethylene 16.3
    n-nonanol 5.07
    cyclohexanol 6.59
    benzyl alcohol 10.12
    2-ethylhexanol 4.59
    isooctanol 6.39
    dipropyl ether 7.28
    1,2-dichlorobenzene 5.65
    ethyl lactate 4.24
    propylene carbonate 6.4
    n-methylformamide 9.94
    2-pentanol 7.05
    n-pentane 0.44
    1-propoxy-2-propanol 31.33
    1-methoxy-2-propyl acetate 18.66
    2-(2-methoxypropoxy) propanol 16.15
    mesitylene 2.9
    ε-caprolactone 13.88
    p-cymene 2.46
    epichlorohydrin 24.1
    1,1,1-trichloroethane 5.51
    2-aminoethanol 4.77
    morpholine-4-carbaldehyde 53.42
    sulfolane 17.65
    2,2,4-trimethylpentane 0.31
    2-methyltetrahydrofuran 17.08
    n-hexyl acetate 10.2
    isooctane 0.28
    2-(2-butoxyethoxy)ethanol 24.28
    sec-butyl acetate 4.21
    tert-butyl acetate 8.1
    decalin 0.38
    glycerin 4.47
    diglyme 38.36
    acrylic acid 3.68
    isopropyl myristate 2.87
    n-butyric acid 8.86
    acetyl acetate 3.85
    di(2-ethylhexyl) phthalate 5.51
    ethyl propionate 4.84
    nitromethane 6.25
    1,2-diethoxyethane 11.89
    benzonitrile 5.05
    trioctyl phosphate 3.53
    1-bromopropane 4.36
    gamma-valerolactone 42.58
    n-decanol 2.6
    triethyl phosphate 3.66
    4-methyl-2-pentanol 4.63
    propionitrile 3.83
    vinylene carbonate 7.29
    1,1,2-trichlorotrifluoroethane 16.96
    DMS 8.24
    cumene 2.61
    2-octanol 3.79
    2-hexanone 6.69
    octyl acetate 4.21
    limonene 2.65
    1,2-dimethoxyethane 25.39
    ethyl orthosilicate 4.4
    tributyl phosphate 2.87
    diacetone alcohol 11.67
    N,N-dimethylaniline 9.48
    acrylonitrile 4.33
    aniline 10.99
    1,3-propanediol 9.19
    bromobenzene 6.06
    dibromomethane 6.27
    1,1,2,2-tetrachloroethane 15.05
    2-methyl-cyclohexyl acetate 6.47
    tetrabutyl urea 4.69
    diisobutyl methanol 2.86
    2-phenylethanol 13.75
    styrene 4.45
    dioctyl adipate 5.44
    dimethyl sulfate 9.1
    ethyl butyrate 5.24
    methyl lactate 7.96
    butyl lactate 11.44
    diethyl carbonate 3.03
    propanediol butyl ether 16.69
    triethyl orthoformate 6.78
    p-tert-butyltoluene 2.74
    methyl 4-tert-butylbenzoate 14.99
    morpholine 57.15
    tert-butylamine 3.44
    n-dodecanol 1.26
    dimethoxymethane 45.71
    ethylene carbonate 5.73
    cyrene 15.88
    2-ethoxyethyl acetate 16.61
    2-ethylhexyl acetate 6.21
    1,2,4-trichlorobenzene 8.69
    4-methylpyridine 18.1
    dibutyl ether 2.78
    2,6-dimethyl-4-heptanol 2.86
    DEF 14.46
    dimethyl isosorbide 26.74
    tetrachloroethylene 9.85
    eugenol 16.69
    triacetin 9.88
    span 80 14.18
    1,4-butanediol 3.08
    1,1-dichloroethane 5.62
    2-methyl-1-pentanol 6.28
    methyl formate 4.81
    2-methyl-1-butanol 9.15
    n-decane 0.18
    butyronitrile 4.37
    3,7-dimethyl-1-octanol 3.66
    1-chlorooctane 1.25
    1-chlorotetradecane 0.27
    n-nonane 0.15
    undecane 0.09
    tert-butylcyclohexane 0.41
    cyclooctane 0.21
    cyclopentanol 7.74
    tetrahydropyran 22.99
    tert-amyl methyl ether 5.96
    2,5,8-trioxanonane 21.81
    1-hexene 1.97
    2-isopropoxyethanol 11.94
    2,2,2-trifluoroethanol 1.69
    methyl butyrate 5.54

    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