Oleana-12,21-dien-3-ol, (3beta)-

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  • Identifiers

    CAS number
    86425-22-1

    Molecular formula
    C30H48O

    SMILES
    C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]1CC(C=C2)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 89.76%
    Amber 58.27%
    Dry 55.82%
    Cedar 48.06%
    Sweet 46.34%
    Sandalwood 41.88%
    Musk 41.77%
    Spicy 40.7%
    Vetiver 35.11%
    Balsamic 34.61%

     

    Flavor
    Woody 73.97%
    Sweet 67.55%
    Camphor 56.05%
    Pine 54.38%
    Dry 47.75%
    Earthy 43.87%
    Balsam 42.27%
    Fresh 41.22%
    Medical 35.29%
    Spicy 34.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.8

    pKa est.
    7.43 (neutral)

    Molecular weight
    424.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    484°C

    Flash point

    • 224.95 ˚C est.

  • Synonyms

    • 86425-22-1
    • RefChem:168073
    • Oleana-12,21-dien-3-ol, (3beta)-
    • (3S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,12,12a,14,14a-dodecahydropicen-3-ol
    • Oleana-12,21-dien-3beta-ol
    • DTXSID001308003
    • Oleana-12,21-dien-3-ol, (3I(2))-
    • 86425-22-1

  • Applications

    Oleana-12,21-dien-3-ol, (3beta)- (CAS 86425-22-1) is regarded as a synthetic intermediate and fragrance component in perfumery and cosmetics; it can be used as an odorant or fragrance fixative in perfume and personal care formulations. It is also evaluated as a starting material for the synthesis of triterpenoid derivatives used in pharmaceutical development and other specialty chemicals. In industrial manufacturing, it can serve as an intermediate for the production of targeted compounds and other processing routes. Its terpenoid character may make it suitable as an additive for polymers, coatings, and inks to modify properties or impart a mild aroma, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.64
    methanol 1.04
    isopropanol 2.64
    water 0.01
    ethyl acetate 6.76
    n-propanol 4.62
    acetone 4.79
    n-butanol 6.49
    acetonitrile 1.14
    DMF 10.25
    toluene 17.31
    isobutanol 4.37
    1,4-dioxane 15.51
    methyl acetate 3.8
    THF 25.92
    2-butanone 8.06
    n-pentanol 5.47
    sec-butanol 3.15
    n-hexane 1.06
    ethylene glycol 0.19
    NMP 15.45
    cyclohexane 1.02
    DMSO 2.9
    n-butyl acetate 10.09
    n-octanol 5.99
    chloroform 18.09
    n-propyl acetate 5.9
    acetic acid 1.82
    dichloromethane 8.74
    cyclohexanone 14.5
    propylene glycol 0.51
    isopropyl acetate 9.24
    DMAc 17.29
    2-ethoxyethanol 6.34
    isopentanol 6.92
    n-heptane 1.3
    ethyl formate 1.87
    1,2-dichloroethane 6.01
    n-hexanol 7.98
    2-methoxyethanol 6.22
    isobutyl acetate 7.97
    tetrachloromethane 3.84
    n-pentyl acetate 14.56
    transcutol 31.62
    n-heptanol 9.09
    ethylbenzene 8.55
    MIBK 11.09
    2-propoxyethanol 19.01
    tert-butanol 3.14
    MTBE 7.43
    2-butoxyethanol 18.85
    propionic acid 2.22
    o-xylene 9.31
    formic acid 0.48
    diethyl ether 9.0
    m-xylene 13.46
    p-xylene 8.44
    chlorobenzene 10.42
    dimethyl carbonate 3.95
    n-octane 0.45
    formamide 0.8
    cyclopentanone 15.04
    2-pentanone 10.24
    anisole 16.88
    cyclopentyl methyl ether 15.79
    gamma-butyrolactone 9.83
    1-methoxy-2-propanol 10.02
    pyridine 17.07
    3-pentanone 9.54
    furfural 9.76
    n-dodecane 0.21
    diethylene glycol 4.69
    diisopropyl ether 5.17
    tert-amyl alcohol 3.58
    acetylacetone 10.55
    n-hexadecane 0.26
    acetophenone 12.39
    methyl propionate 7.51
    isopentyl acetate 14.4
    trichloroethylene 15.76
    n-nonanol 7.78
    cyclohexanol 4.92
    benzyl alcohol 8.23
    2-ethylhexanol 7.36
    isooctanol 9.1
    dipropyl ether 12.14
    1,2-dichlorobenzene 10.32
    ethyl lactate 3.46
    propylene carbonate 5.67
    n-methylformamide 2.18
    2-pentanol 4.77
    n-pentane 1.09
    1-propoxy-2-propanol 18.44
    1-methoxy-2-propyl acetate 20.99
    2-(2-methoxypropoxy) propanol 17.28
    mesitylene 7.88
    ε-caprolactone 13.06
    p-cymene 7.31
    epichlorohydrin 13.16
    1,1,1-trichloroethane 8.31
    2-aminoethanol 0.94
    morpholine-4-carbaldehyde 21.86
    sulfolane 10.12
    2,2,4-trimethylpentane 0.89
    2-methyltetrahydrofuran 12.29
    n-hexyl acetate 15.22
    isooctane 0.97
    2-(2-butoxyethoxy)ethanol 21.68
    sec-butyl acetate 6.97
    tert-butyl acetate 12.73
    decalin 1.28
    glycerin 1.05
    diglyme 34.54
    acrylic acid 1.69
    isopropyl myristate 6.47
    n-butyric acid 5.47
    acetyl acetate 5.25
    di(2-ethylhexyl) phthalate 8.58
    ethyl propionate 6.93
    nitromethane 3.06
    1,2-diethoxyethane 14.09
    benzonitrile 6.51
    trioctyl phosphate 5.54
    1-bromopropane 5.9
    gamma-valerolactone 24.21
    n-decanol 4.63
    triethyl phosphate 6.67
    4-methyl-2-pentanol 5.44
    propionitrile 2.93
    vinylene carbonate 6.13
    1,1,2-trichlorotrifluoroethane 8.26
    DMS 9.14
    cumene 6.53
    2-octanol 5.19
    2-hexanone 8.34
    octyl acetate 7.53
    limonene 7.26
    1,2-dimethoxyethane 13.67
    ethyl orthosilicate 8.45
    tributyl phosphate 5.0
    diacetone alcohol 10.76
    N,N-dimethylaniline 15.21
    acrylonitrile 2.61
    aniline 10.54
    1,3-propanediol 2.51
    bromobenzene 12.97
    dibromomethane 6.96
    1,1,2,2-tetrachloroethane 12.83
    2-methyl-cyclohexyl acetate 12.19
    tetrabutyl urea 7.89
    diisobutyl methanol 6.2
    2-phenylethanol 13.55
    styrene 8.68
    dioctyl adipate 9.54
    dimethyl sulfate 5.54
    ethyl butyrate 9.6
    methyl lactate 3.42
    butyl lactate 10.71
    diethyl carbonate 5.64
    propanediol butyl ether 10.15
    triethyl orthoformate 12.17
    p-tert-butyltoluene 7.87
    methyl 4-tert-butylbenzoate 21.47
    morpholine 17.4
    tert-butylamine 2.87
    n-dodecanol 2.72
    dimethoxymethane 13.24
    ethylene carbonate 5.12
    cyrene 13.16
    2-ethoxyethyl acetate 19.16
    2-ethylhexyl acetate 12.93
    1,2,4-trichlorobenzene 14.15
    4-methylpyridine 17.01
    dibutyl ether 6.26
    2,6-dimethyl-4-heptanol 6.2
    DEF 11.35
    dimethyl isosorbide 29.05
    tetrachloroethylene 8.62
    eugenol 20.16
    triacetin 14.03
    span 80 14.8
    1,4-butanediol 1.08
    1,1-dichloroethane 6.01
    2-methyl-1-pentanol 6.14
    methyl formate 1.5
    2-methyl-1-butanol 6.13
    n-decane 0.64
    butyronitrile 3.96
    3,7-dimethyl-1-octanol 6.81
    1-chlorooctane 3.35
    1-chlorotetradecane 0.88
    n-nonane 0.52
    undecane 0.34
    tert-butylcyclohexane 1.43
    cyclooctane 0.75
    cyclopentanol 3.72
    tetrahydropyran 14.75
    tert-amyl methyl ether 7.04
    2,5,8-trioxanonane 22.8
    1-hexene 3.59
    2-isopropoxyethanol 6.74
    2,2,2-trifluoroethanol 0.97
    methyl butyrate 6.87

    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