(20xi)-18alpha,19alpha-Ursane-3beta,20-diol

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  • Identifiers

    CAS number
    10376-47-3

    Molecular formula
    C30H52O2

    SMILES
    C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CCC1(C)O)C)C)C)(C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 85.54%
    Amber 55.39%
    Dry 50.71%
    Sweet 49.3%
    Sandalwood 46.07%
    Cedar 45.92%
    Earthy 45.45%
    Musk 42.55%
    Balsamic 42.04%
    Spicy 38.52%

     

    Flavor
    Woody 71.4%
    Sweet 68.0%
    Camphor 56.14%
    Pine 53.55%
    Earthy 53.15%
    Herbal 46.13%
    Balsam 45.74%
    Dry 45.32%
    Earth 39.01%
    Spicy 38.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.3

    pKa est.
    7.34 (neutral)

    Molecular weight
    444.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    219°C

    Flash point

    • 236.72 ˚C est.

  • Synonyms

    • DTXSID901299358
    • (20xi)-18alpha,19alpha-Ursane-3beta,20-diol
    • (3I(2),18I+/-,19I+/-,20I(3/4))-Ursane-3,20-diol
    • 10376-47-3
    • 10376-47-3

  • Applications

    Chemical name: (20xi)-18alpha,19alpha-Ursane-3beta,20-diol; CAS 10376-47-3. This compound is primarily viewed as a chiral building block or intermediate in organic synthesis and is explored as a bio-based polyol for polyurethane formulations in the polymer/plastics sector; in cosmetics and personal care, it may function as a skin-conditioning emollient; in coatings and inks, it may be used as a renewable additive or plasticizer; in pharmaceuticals, it serves as an intermediate for the synthesis of more complex ursane-type compounds; in fragrance applications, it may be evaluated as a fragrance-related ingredient or fixative; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.44
    methanol 3.58
    isopropanol 5.4
    water 0.03
    ethyl acetate 7.65
    n-propanol 9.36
    acetone 8.05
    n-butanol 9.38
    acetonitrile 2.42
    DMF 24.91
    toluene 10.37
    isobutanol 6.39
    1,4-dioxane 26.25
    methyl acetate 5.47
    THF 56.71
    2-butanone 9.35
    n-pentanol 6.36
    sec-butanol 3.89
    n-hexane 0.48
    ethylene glycol 0.73
    NMP 24.19
    cyclohexane 0.46
    DMSO 9.17
    n-butyl acetate 9.41
    n-octanol 6.32
    chloroform 19.4
    n-propyl acetate 6.05
    acetic acid 4.5
    dichloromethane 10.15
    cyclohexanone 15.89
    propylene glycol 1.64
    isopropyl acetate 9.15
    DMAc 24.47
    2-ethoxyethanol 12.57
    isopentanol 7.29
    n-heptane 0.65
    ethyl formate 3.09
    1,2-dichloroethane 6.78
    n-hexanol 8.2
    2-methoxyethanol 15.11
    isobutyl acetate 7.18
    tetrachloromethane 3.97
    n-pentyl acetate 14.36
    transcutol 38.78
    n-heptanol 10.2
    ethylbenzene 4.8
    MIBK 9.52
    2-propoxyethanol 32.2
    tert-butanol 4.9
    MTBE 7.04
    2-butoxyethanol 27.29
    propionic acid 4.43
    o-xylene 5.45
    formic acid 1.61
    diethyl ether 8.92
    m-xylene 8.07
    p-xylene 5.3
    chlorobenzene 9.48
    dimethyl carbonate 6.8
    n-octane 0.25
    formamide 2.6
    cyclopentanone 22.67
    2-pentanone 10.29
    anisole 13.72
    cyclopentyl methyl ether 16.75
    gamma-butyrolactone 19.5
    1-methoxy-2-propanol 20.21
    pyridine 20.77
    3-pentanone 8.06
    furfural 16.71
    n-dodecane 0.11
    diethylene glycol 11.83
    diisopropyl ether 3.5
    tert-amyl alcohol 3.65
    acetylacetone 13.32
    n-hexadecane 0.14
    acetophenone 11.14
    methyl propionate 9.3
    isopentyl acetate 12.47
    trichloroethylene 16.94
    n-nonanol 7.56
    cyclohexanol 5.08
    benzyl alcohol 9.77
    2-ethylhexanol 5.55
    isooctanol 8.91
    dipropyl ether 9.71
    1,2-dichlorobenzene 8.87
    ethyl lactate 5.02
    propylene carbonate 8.83
    n-methylformamide 6.04
    2-pentanol 4.62
    n-pentane 0.51
    1-propoxy-2-propanol 25.2
    1-methoxy-2-propyl acetate 23.03
    2-(2-methoxypropoxy) propanol 17.9
    mesitylene 4.49
    ε-caprolactone 15.06
    p-cymene 4.46
    epichlorohydrin 22.19
    1,1,1-trichloroethane 7.25
    2-aminoethanol 3.17
    morpholine-4-carbaldehyde 35.18
    sulfolane 21.36
    2,2,4-trimethylpentane 0.44
    2-methyltetrahydrofuran 16.36
    n-hexyl acetate 14.35
    isooctane 0.47
    2-(2-butoxyethoxy)ethanol 25.83
    sec-butyl acetate 5.76
    tert-butyl acetate 12.09
    decalin 0.58
    glycerin 3.25
    diglyme 44.09
    acrylic acid 3.78
    isopropyl myristate 4.65
    n-butyric acid 8.17
    acetyl acetate 6.49
    di(2-ethylhexyl) phthalate 7.62
    ethyl propionate 6.61
    nitromethane 7.6
    1,2-diethoxyethane 13.72
    benzonitrile 7.26
    trioctyl phosphate 5.33
    1-bromopropane 4.29
    gamma-valerolactone 39.18
    n-decanol 4.04
    triethyl phosphate 5.71
    4-methyl-2-pentanol 4.38
    propionitrile 4.43
    vinylene carbonate 9.62
    1,1,2-trichlorotrifluoroethane 14.42
    DMS 10.03
    cumene 3.72
    2-octanol 5.0
    2-hexanone 7.45
    octyl acetate 6.37
    limonene 4.47
    1,2-dimethoxyethane 21.37
    ethyl orthosilicate 6.73
    tributyl phosphate 4.43
    diacetone alcohol 12.49
    N,N-dimethylaniline 11.43
    acrylonitrile 4.94
    aniline 10.09
    1,3-propanediol 6.4
    bromobenzene 9.75
    dibromomethane 6.96
    1,1,2,2-tetrachloroethane 13.87
    2-methyl-cyclohexyl acetate 9.73
    tetrabutyl urea 6.6
    diisobutyl methanol 4.23
    2-phenylethanol 14.42
    styrene 5.09
    dioctyl adipate 8.33
    dimethyl sulfate 10.31
    ethyl butyrate 8.12
    methyl lactate 6.61
    butyl lactate 13.46
    diethyl carbonate 4.97
    propanediol butyl ether 16.58
    triethyl orthoformate 10.07
    p-tert-butyltoluene 4.95
    methyl 4-tert-butylbenzoate 20.67
    morpholine 30.64
    tert-butylamine 3.09
    n-dodecanol 2.04
    dimethoxymethane 27.06
    ethylene carbonate 8.07
    cyrene 17.26
    2-ethoxyethyl acetate 21.98
    2-ethylhexyl acetate 9.76
    1,2,4-trichlorobenzene 12.4
    4-methylpyridine 16.81
    dibutyl ether 4.23
    2,6-dimethyl-4-heptanol 4.23
    DEF 11.61
    dimethyl isosorbide 31.36
    tetrachloroethylene 10.48
    eugenol 20.96
    triacetin 15.24
    span 80 15.45
    1,4-butanediol 2.61
    1,1-dichloroethane 6.14
    2-methyl-1-pentanol 5.35
    methyl formate 4.02
    2-methyl-1-butanol 6.05
    n-decane 0.34
    butyronitrile 5.03
    3,7-dimethyl-1-octanol 5.44
    1-chlorooctane 2.16
    1-chlorotetradecane 0.46
    n-nonane 0.29
    undecane 0.17
    tert-butylcyclohexane 0.65
    cyclooctane 0.32
    cyclopentanol 6.17
    tetrahydropyran 17.4
    tert-amyl methyl ether 5.58
    2,5,8-trioxanonane 25.04
    1-hexene 1.95
    2-isopropoxyethanol 10.35
    2,2,2-trifluoroethanol 2.55
    methyl butyrate 7.09

    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