(3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol

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  • Identifiers

    CAS number
    6466-94-0

    Molecular formula
    C30H50O

    SMILES
    C[C@@H]1CC[C@@]2(CC[C@@]3(C4=CC[C@@H]5[C@@]([C@H]4CC[C@]3([C@@H]2[C@H]1C)C)(CC[C@@H](C5(C)C)O)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 89.15%
    Amber 56.89%
    Dry 54.21%
    Cedar 46.71%
    Sandalwood 45.41%
    Sweet 44.67%
    Musk 40.69%
    Spicy 39.87%
    Balsamic 37.15%
    Vetiver 35.67%

     

    Flavor
    Woody 72.05%
    Sweet 65.22%
    Camphor 53.67%
    Pine 51.96%
    Earthy 46.34%
    Dry 46.34%
    Balsam 42.83%
    Fresh 37.65%
    Herbal 36.06%
    Medical 35.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.0

    pKa est.
    7.57 (neutral)

    Molecular weight
    426.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    489°C

    Flash point

    • 222.83 ˚C est.

  • Synonyms

    • Bauerenol
    • 6466-94-0
    • RefChem:905991
    • 4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol
    • (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol
    • 229-283-0
    • Baurenol
    • D:C-Friedours-7-en-3-ol, (3beta)-
    • (3S,4aR,6aS,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol
    • D:C-Friedours-7-en-3beta-ol
    • (-)-bauerenol
    • Baurenol (Ilexol)
    • EINECS 229-283-0
    • NSC 147745
    • orb1703699
    • SCHEMBL3176610
    • AKOS040745596
    • (3S,4aR,6bS,8aR,11R,12S,12aR,12bS,14aR,14bR)-4,4,6b,8a,11,12,12b,14b-Octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenol
    • 6466-94-0

  • Applications

    Compound (3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol (CAS 6466-94-0) has applications primarily as a chiral building block and steroidal intermediate in pharmaceutical synthesis, supporting the preparation of steroidal drugs and related derivatives. It may also function as a fragrance intermediate or precursor in cosmetics and fragrance formulations, aiding development of fragrance compounds or serving as a stereochemically defined scaffold in blends. In chemical research and development, it can be used as a starting material for further sterol elaboration and derivatization. Use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.5
    methanol 2.1
    isopropanol 4.78
    water 0.02
    ethyl acetate 7.19
    n-propanol 7.35
    acetone 7.59
    n-butanol 9.28
    acetonitrile 1.61
    DMF 15.02
    toluene 14.52
    isobutanol 6.68
    1,4-dioxane 18.07
    methyl acetate 4.38
    THF 28.43
    2-butanone 9.05
    n-pentanol 6.59
    sec-butanol 3.83
    n-hexane 0.87
    ethylene glycol 0.43
    NMP 17.09
    cyclohexane 0.93
    DMSO 4.09
    n-butyl acetate 10.44
    n-octanol 7.25
    chloroform 17.98
    n-propyl acetate 6.51
    acetic acid 2.78
    dichloromethane 10.04
    cyclohexanone 16.69
    propylene glycol 0.95
    isopropyl acetate 9.66
    DMAc 18.64
    2-ethoxyethanol 8.58
    isopentanol 9.0
    n-heptane 1.24
    ethyl formate 2.58
    1,2-dichloroethane 7.24
    n-hexanol 9.27
    2-methoxyethanol 9.3
    isobutyl acetate 8.84
    tetrachloromethane 4.49
    n-pentyl acetate 16.94
    transcutol 35.25
    n-heptanol 11.58
    ethylbenzene 6.97
    MIBK 12.27
    2-propoxyethanol 24.74
    tert-butanol 5.27
    MTBE 7.64
    2-butoxyethanol 25.5
    propionic acid 3.02
    o-xylene 8.44
    formic acid 0.77
    diethyl ether 9.66
    m-xylene 12.42
    p-xylene 7.8
    chlorobenzene 10.72
    dimethyl carbonate 5.07
    n-octane 0.5
    formamide 1.23
    cyclopentanone 18.19
    2-pentanone 11.3
    anisole 14.74
    cyclopentyl methyl ether 15.28
    gamma-butyrolactone 12.52
    1-methoxy-2-propanol 13.78
    pyridine 16.4
    3-pentanone 9.65
    furfural 12.52
    n-dodecane 0.23
    diethylene glycol 7.99
    diisopropyl ether 5.2
    tert-amyl alcohol 4.03
    acetylacetone 13.4
    n-hexadecane 0.29
    acetophenone 12.56
    methyl propionate 7.92
    isopentyl acetate 15.01
    trichloroethylene 16.43
    n-nonanol 9.08
    cyclohexanol 5.81
    benzyl alcohol 9.01
    2-ethylhexanol 7.73
    isooctanol 10.63
    dipropyl ether 11.83
    1,2-dichlorobenzene 10.76
    ethyl lactate 4.39
    propylene carbonate 7.28
    n-methylformamide 3.47
    2-pentanol 5.71
    n-pentane 1.04
    1-propoxy-2-propanol 21.77
    1-methoxy-2-propyl acetate 21.89
    2-(2-methoxypropoxy) propanol 18.44
    mesitylene 7.65
    ε-caprolactone 14.44
    p-cymene 7.5
    epichlorohydrin 15.41
    1,1,1-trichloroethane 9.23
    2-aminoethanol 1.94
    morpholine-4-carbaldehyde 24.85
    sulfolane 13.33
    2,2,4-trimethylpentane 0.79
    2-methyltetrahydrofuran 11.28
    n-hexyl acetate 17.36
    isooctane 0.95
    2-(2-butoxyethoxy)ethanol 25.07
    sec-butyl acetate 6.77
    tert-butyl acetate 13.74
    decalin 1.08
    glycerin 2.02
    diglyme 42.06
    acrylic acid 2.45
    isopropyl myristate 6.92
    n-butyric acid 7.16
    acetyl acetate 6.23
    di(2-ethylhexyl) phthalate 9.46
    ethyl propionate 6.93
    nitromethane 4.38
    1,2-diethoxyethane 14.87
    benzonitrile 7.41
    trioctyl phosphate 6.62
    1-bromopropane 5.75
    gamma-valerolactone 30.39
    n-decanol 5.29
    triethyl phosphate 6.69
    4-methyl-2-pentanol 6.03
    propionitrile 4.17
    vinylene carbonate 7.71
    1,1,2-trichlorotrifluoroethane 10.64
    DMS 10.28
    cumene 5.73
    2-octanol 6.12
    2-hexanone 8.89
    octyl acetate 8.13
    limonene 7.26
    1,2-dimethoxyethane 17.08
    ethyl orthosilicate 8.22
    tributyl phosphate 5.74
    diacetone alcohol 12.87
    N,N-dimethylaniline 13.52
    acrylonitrile 3.83
    aniline 10.72
    1,3-propanediol 4.6
    bromobenzene 12.8
    dibromomethane 7.63
    1,1,2,2-tetrachloroethane 13.28
    2-methyl-cyclohexyl acetate 12.03
    tetrabutyl urea 8.94
    diisobutyl methanol 6.53
    2-phenylethanol 15.3
    styrene 7.09
    dioctyl adipate 10.21
    dimethyl sulfate 6.99
    ethyl butyrate 9.28
    methyl lactate 4.53
    butyl lactate 13.59
    diethyl carbonate 5.61
    propanediol butyl ether 14.78
    triethyl orthoformate 11.43
    p-tert-butyltoluene 8.03
    methyl 4-tert-butylbenzoate 25.15
    morpholine 18.91
    tert-butylamine 4.18
    n-dodecanol 3.02
    dimethoxymethane 18.51
    ethylene carbonate 6.62
    cyrene 14.79
    2-ethoxyethyl acetate 23.37
    2-ethylhexyl acetate 12.75
    1,2,4-trichlorobenzene 14.51
    4-methylpyridine 16.52
    dibutyl ether 6.49
    2,6-dimethyl-4-heptanol 6.53
    DEF 11.68
    dimethyl isosorbide 30.76
    tetrachloroethylene 9.94
    eugenol 23.92
    triacetin 16.36
    span 80 15.96
    1,4-butanediol 1.89
    1,1-dichloroethane 6.81
    2-methyl-1-pentanol 6.58
    methyl formate 2.4
    2-methyl-1-butanol 7.35
    n-decane 0.69
    butyronitrile 5.04
    3,7-dimethyl-1-octanol 7.25
    1-chlorooctane 3.58
    1-chlorotetradecane 0.91
    n-nonane 0.58
    undecane 0.37
    tert-butylcyclohexane 1.21
    cyclooctane 0.66
    cyclopentanol 4.76
    tetrahydropyran 14.53
    tert-amyl methyl ether 6.14
    2,5,8-trioxanonane 25.64
    1-hexene 2.98
    2-isopropoxyethanol 8.66
    2,2,2-trifluoroethanol 1.6
    methyl butyrate 7.37

    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