(4aR,6aR,6bS,8aS,11S,12R,12aR,14aR,14bR)-11-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

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  • Identifiers

    CAS number
    150148-82-6

    Molecular formula
    C30H48O2

    SMILES
    C[C@@H]1[C@H]2C3=CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC[C@]1(C)O)C)C)C)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 85.86%
    Amber 59.26%
    Dry 51.73%
    Cedar 51.21%
    Musk 46.81%
    Earthy 39.83%
    Sandalwood 39.11%
    Vetiver 36.81%
    Spicy 34.82%
    Tobacco 33.52%

     

    Flavor
    Woody 68.14%
    Camphor 57.83%
    Pine 49.84%
    Earthy 45.37%
    Sweet 44.61%
    Herbal 42.02%
    Balsam 40.0%
    Dry 39.24%
    Fresh 35.75%
    Earth 35.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.1

    pKa est.
    7.3 (neutral)

    Molecular weight
    440.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    354°C

    Flash point

    • 227.92 ˚C est.

  • Synonyms

    • Rofficerone
    • 20-Hydroxyurs-12-en-3-one
    • CHEBI:168022
    • DTXSID301312067
    • (4aR,6aR,6bS,8aS,11S,12R,12aR,14aR,14bR)-11-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
    • 150148-82-6
    • 150148-82-6

  • Applications

    Known as (4aR,6aR,6bS,8aS,11S,12R,12aR,14aR,14bR)-11-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one (CAS 150148-82-6), this highly methylated, hydroxylated bicyclic ketone is typically employed as a chiral intermediate and building block in fragrance chemistry; in perfumery and cosmetics, it may function as a fragrance component or synthesis precursor to access woody, resinous aroma profiles; in industrial manufacturing it is treated as a specialty intermediate for the production of aroma compounds; and in pharmaceutical or agrochemical research it may be explored as a versatile chiral scaffold for organic synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.75
    methanol 3.58
    isopropanol 5.85
    water 0.01
    ethyl acetate 6.02
    n-propanol 10.13
    acetone 6.9
    n-butanol 10.55
    acetonitrile 2.52
    DMF 29.85
    toluene 13.53
    isobutanol 7.43
    1,4-dioxane 23.34
    methyl acetate 4.92
    THF 32.53
    2-butanone 9.72
    n-pentanol 7.55
    sec-butanol 4.22
    n-hexane 0.43
    ethylene glycol 0.58
    NMP 24.72
    cyclohexane 0.5
    DMSO 6.08
    n-butyl acetate 7.79
    n-octanol 4.53
    chloroform 22.89
    n-propyl acetate 5.42
    acetic acid 3.61
    dichloromethane 11.11
    cyclohexanone 15.74
    propylene glycol 1.4
    isopropyl acetate 7.34
    DMAc 25.01
    2-ethoxyethanol 11.11
    isopentanol 8.16
    n-heptane 0.42
    ethyl formate 2.62
    1,2-dichloroethane 6.8
    n-hexanol 9.29
    2-methoxyethanol 13.86
    isobutyl acetate 6.57
    tetrachloromethane 3.57
    n-pentyl acetate 11.68
    transcutol 31.54
    n-heptanol 8.06
    ethylbenzene 6.01
    MIBK 8.43
    2-propoxyethanol 32.25
    tert-butanol 4.66
    MTBE 5.54
    2-butoxyethanol 22.43
    propionic acid 3.83
    o-xylene 6.41
    formic acid 1.25
    diethyl ether 7.82
    m-xylene 8.83
    p-xylene 6.27
    chlorobenzene 10.68
    dimethyl carbonate 5.57
    n-octane 0.16
    formamide 2.05
    cyclopentanone 18.83
    2-pentanone 9.16
    anisole 15.42
    cyclopentyl methyl ether 12.67
    gamma-butyrolactone 14.31
    1-methoxy-2-propanol 18.42
    pyridine 23.35
    3-pentanone 8.5
    furfural 15.7
    n-dodecane 0.08
    diethylene glycol 10.37
    diisopropyl ether 2.67
    tert-amyl alcohol 3.44
    acetylacetone 10.32
    n-hexadecane 0.11
    acetophenone 12.14
    methyl propionate 7.95
    isopentyl acetate 10.34
    trichloroethylene 17.99
    n-nonanol 5.68
    cyclohexanol 5.44
    benzyl alcohol 10.99
    2-ethylhexanol 5.29
    isooctanol 6.77
    dipropyl ether 7.27
    1,2-dichlorobenzene 9.88
    ethyl lactate 4.42
    propylene carbonate 7.06
    n-methylformamide 6.35
    2-pentanol 5.04
    n-pentane 0.47
    1-propoxy-2-propanol 22.68
    1-methoxy-2-propyl acetate 17.81
    2-(2-methoxypropoxy) propanol 15.26
    mesitylene 4.48
    ε-caprolactone 13.66
    p-cymene 4.0
    epichlorohydrin 18.14
    1,1,1-trichloroethane 7.84
    2-aminoethanol 2.79
    morpholine-4-carbaldehyde 38.14
    sulfolane 15.25
    2,2,4-trimethylpentane 0.36
    2-methyltetrahydrofuran 11.42
    n-hexyl acetate 11.74
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 20.99
    sec-butyl acetate 5.29
    tert-butyl acetate 8.99
    decalin 0.54
    glycerin 2.61
    diglyme 35.57
    acrylic acid 3.34
    isopropyl myristate 4.1
    n-butyric acid 7.48
    acetyl acetate 5.12
    di(2-ethylhexyl) phthalate 7.12
    ethyl propionate 5.9
    nitromethane 6.36
    1,2-diethoxyethane 10.4
    benzonitrile 8.9
    trioctyl phosphate 4.4
    1-bromopropane 5.01
    gamma-valerolactone 34.94
    n-decanol 3.2
    triethyl phosphate 5.01
    4-methyl-2-pentanol 4.44
    propionitrile 5.41
    vinylene carbonate 8.67
    1,1,2-trichlorotrifluoroethane 13.55
    DMS 9.25
    cumene 3.93
    2-octanol 3.9
    2-hexanone 7.86
    octyl acetate 5.35
    limonene 3.85
    1,2-dimethoxyethane 19.33
    ethyl orthosilicate 5.99
    tributyl phosphate 3.89
    diacetone alcohol 10.6
    N,N-dimethylaniline 11.85
    acrylonitrile 5.59
    aniline 12.1
    1,3-propanediol 6.02
    bromobenzene 11.52
    dibromomethane 7.83
    1,1,2,2-tetrachloroethane 14.95
    2-methyl-cyclohexyl acetate 9.31
    tetrabutyl urea 6.38
    diisobutyl methanol 3.48
    2-phenylethanol 15.13
    styrene 6.49
    dioctyl adipate 7.34
    dimethyl sulfate 7.91
    ethyl butyrate 6.63
    methyl lactate 5.69
    butyl lactate 11.12
    diethyl carbonate 4.33
    propanediol butyl ether 13.16
    triethyl orthoformate 8.44
    p-tert-butyltoluene 4.09
    methyl 4-tert-butylbenzoate 17.81
    morpholine 29.24
    tert-butylamine 3.05
    n-dodecanol 1.71
    dimethoxymethane 24.3
    ethylene carbonate 6.72
    cyrene 15.79
    2-ethoxyethyl acetate 17.39
    2-ethylhexyl acetate 8.47
    1,2,4-trichlorobenzene 14.4
    4-methylpyridine 20.29
    dibutyl ether 3.39
    2,6-dimethyl-4-heptanol 3.48
    DEF 11.44
    dimethyl isosorbide 26.52
    tetrachloroethylene 10.26
    eugenol 19.66
    triacetin 12.63
    span 80 13.14
    1,4-butanediol 2.45
    1,1-dichloroethane 6.58
    2-methyl-1-pentanol 5.99
    methyl formate 3.6
    2-methyl-1-butanol 6.74
    n-decane 0.26
    butyronitrile 5.63
    3,7-dimethyl-1-octanol 4.42
    1-chlorooctane 1.73
    1-chlorotetradecane 0.41
    n-nonane 0.21
    undecane 0.14
    tert-butylcyclohexane 0.57
    cyclooctane 0.28
    cyclopentanol 5.55
    tetrahydropyran 16.2
    tert-amyl methyl ether 4.39
    2,5,8-trioxanonane 20.71
    1-hexene 2.06
    2-isopropoxyethanol 9.29
    2,2,2-trifluoroethanol 1.8
    methyl butyrate 6.57

    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