3beta,16alpha-Dihydroxyurs-12-ene

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  • Identifiers

    CAS number
    31575-82-3

    Molecular formula
    C30H50O2

    SMILES
    C[C@@H]1CC[C@@]2([C@@H](C[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]2[C@H]1C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 85.72%
    Amber 50.58%
    Dry 46.87%
    Sweet 45.96%
    Cedar 45.22%
    Balsamic 45.01%
    Sandalwood 44.49%
    Spicy 43.72%
    Earthy 43.07%
    Camphoreous 40.5%

     

    Flavor
    Woody 73.26%
    Camphor 57.98%
    Pine 55.38%
    Sweet 54.43%
    Balsam 50.13%
    Earthy 49.6%
    Herbal 49.41%
    Spicy 39.39%
    Earth 38.48%
    Dry 38.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    7.15 (neutral)

    Molecular weight
    442.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    158°C

    Flash point

    • 236.0 ˚C est.

  • Synonyms

    • 31575-82-3
    • 3beta,16alpha-Dihydroxyurs-12-ene
    • Urs-12-ene-3beta,16alpha-diol
    • Urs-12-ene-3,16-diol
    • DTXSID00953547
    • (3|A,16|A)-Urs-12-ene-3,16-diol
    • 31575-82-3

  • Applications

    3beta,16alpha-Dihydroxyurs-12-ene (CAS 31575-82-3) is primarily employed as an intermediate and chiral building block in the synthesis of ursane-type triterpenoids and related natural product derivatives, with applications in pharmaceutical research and cosmetic ingredient development. It is commonly evaluated for use as a starting material to access semi-synthetic compounds or functionalized derivatives used in skin-care formulations, where the triterpenoid skeleton is valued for its physicochemical properties. In polymer and coating chemistry, the diol functionality can serve as a precursor for polyurethane or other resin systems and as a potential crosslinking component. The compound is also used in analytical and process development settings as a reference material or scaffold for stereochemical studies and method development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.69
    methanol 2.59
    isopropanol 3.57
    water 0.01
    ethyl acetate 4.11
    n-propanol 5.91
    acetone 4.79
    n-butanol 6.74
    acetonitrile 1.2
    DMF 15.63
    toluene 7.23
    isobutanol 4.85
    1,4-dioxane 15.0
    methyl acetate 3.0
    THF 23.18
    2-butanone 6.1
    n-pentanol 5.08
    sec-butanol 2.7
    n-hexane 0.38
    ethylene glycol 0.45
    NMP 15.86
    cyclohexane 0.37
    DMSO 4.75
    n-butyl acetate 5.92
    n-octanol 4.77
    chloroform 11.68
    n-propyl acetate 3.71
    acetic acid 2.46
    dichloromethane 6.18
    cyclohexanone 10.49
    propylene glycol 0.92
    isopropyl acetate 5.08
    DMAc 16.14
    2-ethoxyethanol 7.68
    isopentanol 5.75
    n-heptane 0.47
    ethyl formate 1.74
    1,2-dichloroethane 4.35
    n-hexanol 6.17
    2-methoxyethanol 8.88
    isobutyl acetate 4.78
    tetrachloromethane 2.54
    n-pentyl acetate 10.17
    transcutol 25.31
    n-heptanol 8.13
    ethylbenzene 3.83
    MIBK 6.35
    2-propoxyethanol 20.81
    tert-butanol 3.39
    MTBE 4.23
    2-butoxyethanol 19.63
    propionic acid 2.54
    o-xylene 4.13
    formic acid 0.93
    diethyl ether 5.38
    m-xylene 5.75
    p-xylene 4.1
    chlorobenzene 6.14
    dimethyl carbonate 3.81
    n-octane 0.19
    formamide 1.4
    cyclopentanone 13.11
    2-pentanone 6.54
    anisole 9.22
    cyclopentyl methyl ether 9.31
    gamma-butyrolactone 9.49
    1-methoxy-2-propanol 12.21
    pyridine 13.06
    3-pentanone 5.53
    furfural 9.28
    n-dodecane 0.08
    diethylene glycol 7.58
    diisopropyl ether 2.19
    tert-amyl alcohol 2.62
    acetylacetone 7.49
    n-hexadecane 0.11
    acetophenone 7.79
    methyl propionate 5.31
    isopentyl acetate 8.33
    trichloroethylene 10.3
    n-nonanol 5.93
    cyclohexanol 3.66
    benzyl alcohol 6.99
    2-ethylhexanol 4.43
    isooctanol 7.09
    dipropyl ether 6.04
    1,2-dichlorobenzene 5.85
    ethyl lactate 3.18
    propylene carbonate 4.77
    n-methylformamide 3.54
    2-pentanol 3.45
    n-pentane 0.39
    1-propoxy-2-propanol 16.46
    1-methoxy-2-propyl acetate 13.99
    2-(2-methoxypropoxy) propanol 12.82
    mesitylene 3.36
    ε-caprolactone 9.15
    p-cymene 3.56
    epichlorohydrin 11.85
    1,1,1-trichloroethane 4.8
    2-aminoethanol 1.87
    morpholine-4-carbaldehyde 22.28
    sulfolane 11.41
    2,2,4-trimethylpentane 0.33
    2-methyltetrahydrofuran 7.86
    n-hexyl acetate 10.06
    isooctane 0.37
    2-(2-butoxyethoxy)ethanol 18.81
    sec-butyl acetate 3.68
    tert-butyl acetate 6.99
    decalin 0.45
    glycerin 2.02
    diglyme 29.38
    acrylic acid 2.24
    isopropyl myristate 3.43
    n-butyric acid 4.92
    acetyl acetate 3.61
    di(2-ethylhexyl) phthalate 6.12
    ethyl propionate 3.92
    nitromethane 3.71
    1,2-diethoxyethane 8.46
    benzonitrile 4.88
    trioctyl phosphate 4.07
    1-bromopropane 2.96
    gamma-valerolactone 22.16
    n-decanol 3.15
    triethyl phosphate 3.9
    4-methyl-2-pentanol 3.4
    propionitrile 2.76
    vinylene carbonate 5.39
    1,1,2-trichlorotrifluoroethane 9.09
    DMS 6.77
    cumene 2.97
    2-octanol 3.88
    2-hexanone 5.28
    octyl acetate 4.71
    limonene 3.35
    1,2-dimethoxyethane 12.87
    ethyl orthosilicate 4.7
    tributyl phosphate 3.35
    diacetone alcohol 8.14
    N,N-dimethylaniline 8.34
    acrylonitrile 2.95
    aniline 7.09
    1,3-propanediol 4.08
    bromobenzene 6.41
    dibromomethane 4.55
    1,1,2,2-tetrachloroethane 8.53
    2-methyl-cyclohexyl acetate 7.16
    tetrabutyl urea 5.27
    diisobutyl methanol 3.38
    2-phenylethanol 10.66
    styrene 3.87
    dioctyl adipate 6.09
    dimethyl sulfate 5.78
    ethyl butyrate 5.03
    methyl lactate 3.82
    butyl lactate 9.48
    diethyl carbonate 3.11
    propanediol butyl ether 12.0
    triethyl orthoformate 6.36
    p-tert-butyltoluene 3.89
    methyl 4-tert-butylbenzoate 15.63
    morpholine 17.16
    tert-butylamine 2.24
    n-dodecanol 1.6
    dimethoxymethane 15.63
    ethylene carbonate 4.51
    cyrene 12.02
    2-ethoxyethyl acetate 14.74
    2-ethylhexyl acetate 6.74
    1,2,4-trichlorobenzene 8.27
    4-methylpyridine 11.09
    dibutyl ether 2.89
    2,6-dimethyl-4-heptanol 3.38
    DEF 7.58
    dimethyl isosorbide 21.28
    tetrachloroethylene 6.6
    eugenol 16.21
    triacetin 9.88
    span 80 11.56
    1,4-butanediol 1.81
    1,1-dichloroethane 3.71
    2-methyl-1-pentanol 4.47
    methyl formate 2.3
    2-methyl-1-butanol 4.8
    n-decane 0.26
    butyronitrile 3.05
    3,7-dimethyl-1-octanol 4.24
    1-chlorooctane 1.61
    1-chlorotetradecane 0.37
    n-nonane 0.22
    undecane 0.14
    tert-butylcyclohexane 0.51
    cyclooctane 0.26
    cyclopentanol 3.65
    tetrahydropyran 9.72
    tert-amyl methyl ether 3.3
    2,5,8-trioxanonane 17.75
    1-hexene 1.47
    2-isopropoxyethanol 6.81
    2,2,2-trifluoroethanol 1.34
    methyl butyrate 4.36

    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