(20xi)-20-Hydroxy-18alpha,19alpha-ursan-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    232266-07-8

    Molecular formula
    C30H50O2

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 85.64%
    Amber 58.25%
    Dry 52.05%
    Cedar 51.31%
    Musk 45.49%
    Earthy 43.02%
    Sandalwood 40.77%
    Vetiver 37.01%
    Balsamic 36.64%
    Sweet 36.44%

     

    Flavor
    Woody 68.01%
    Camphor 57.05%
    Sweet 53.24%
    Earthy 49.05%
    Pine 48.94%
    Herbal 42.9%
    Dry 42.81%
    Balsam 39.98%
    Earth 36.72%
    Spicy 35.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.0

    pKa est.
    7.43 (neutral)

    Molecular weight
    442.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    364°C

    Flash point

    • 224.69 ˚C est.

  • Synonyms

    • DTXSID101294411
    • 232266-07-8
    • (20xi)-20-Hydroxy-18alpha,19alpha-ursan-3-one
    • (18I+/-,19I+/-,20I(3/4))-20-Hydroxyursan-3-one
    • 232266-07-8

  • Applications

    The compound (20xi)-20-Hydroxy-18alpha,19alpha-ursan-3-one (CAS 232266-07-8) is a hydroxylated ursane derivative with a ketone and hydroxyl groups, typically used as an intermediate or building block for the synthesis of triterpenoid derivatives. In practice, it is often used as an intermediate in the development of pharmaceutical and cosmetic actives, and it is evaluated for fragrance applications as a fragrance intermediate or odor precursor, and may also serve as a precursor for specialty chemical syntheses in industrial research and development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.01
    methanol 4.54
    isopropanol 7.49
    water 0.02
    ethyl acetate 8.3
    n-propanol 12.45
    acetone 9.79
    n-butanol 12.2
    acetonitrile 4.01
    DMF 34.13
    toluene 15.74
    isobutanol 8.25
    1,4-dioxane 28.72
    methyl acetate 6.59
    THF 49.25
    2-butanone 11.81
    n-pentanol 7.87
    sec-butanol 4.43
    n-hexane 0.38
    ethylene glycol 0.88
    NMP 29.16
    cyclohexane 0.48
    DMSO 8.7
    n-butyl acetate 9.44
    n-octanol 4.94
    chloroform 28.52
    n-propyl acetate 6.93
    acetic acid 5.6
    dichloromethane 14.38
    cyclohexanone 19.62
    propylene glycol 1.9
    isopropyl acetate 9.83
    DMAc 28.21
    2-ethoxyethanol 13.77
    isopentanol 8.84
    n-heptane 0.43
    ethyl formate 3.72
    1,2-dichloroethane 8.83
    n-hexanol 9.76
    2-methoxyethanol 18.14
    isobutyl acetate 7.92
    tetrachloromethane 4.58
    n-pentyl acetate 13.7
    transcutol 36.48
    n-heptanol 8.61
    ethylbenzene 6.24
    MIBK 10.13
    2-propoxyethanol 38.12
    tert-butanol 5.68
    MTBE 6.1
    2-butoxyethanol 26.16
    propionic acid 5.47
    o-xylene 7.09
    formic acid 1.86
    diethyl ether 8.86
    m-xylene 10.2
    p-xylene 6.86
    chlorobenzene 13.83
    dimethyl carbonate 7.64
    n-octane 0.16
    formamide 3.17
    cyclopentanone 25.25
    2-pentanone 11.32
    anisole 17.61
    cyclopentyl methyl ether 15.6
    gamma-butyrolactone 21.87
    1-methoxy-2-propanol 23.35
    pyridine 29.13
    3-pentanone 9.63
    furfural 22.97
    n-dodecane 0.08
    diethylene glycol 13.73
    diisopropyl ether 3.01
    tert-amyl alcohol 3.55
    acetylacetone 14.69
    n-hexadecane 0.1
    acetophenone 14.27
    methyl propionate 10.3
    isopentyl acetate 12.33
    trichloroethylene 23.77
    n-nonanol 6.03
    cyclohexanol 5.84
    benzyl alcohol 13.26
    2-ethylhexanol 5.39
    isooctanol 7.28
    dipropyl ether 8.25
    1,2-dichlorobenzene 12.61
    ethyl lactate 5.71
    propylene carbonate 10.71
    n-methylformamide 8.28
    2-pentanol 5.35
    n-pentane 0.43
    1-propoxy-2-propanol 26.29
    1-methoxy-2-propyl acetate 22.52
    2-(2-methoxypropoxy) propanol 17.39
    mesitylene 4.97
    ε-caprolactone 17.32
    p-cymene 4.41
    epichlorohydrin 25.56
    1,1,1-trichloroethane 10.0
    2-aminoethanol 3.94
    morpholine-4-carbaldehyde 44.38
    sulfolane 22.39
    2,2,4-trimethylpentane 0.34
    2-methyltetrahydrofuran 14.82
    n-hexyl acetate 13.62
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 23.45
    sec-butyl acetate 6.3
    tert-butyl acetate 12.03
    decalin 0.53
    glycerin 3.74
    diglyme 43.0
    acrylic acid 4.99
    isopropyl myristate 4.46
    n-butyric acid 10.17
    acetyl acetate 7.75
    di(2-ethylhexyl) phthalate 7.96
    ethyl propionate 7.35
    nitromethane 10.04
    1,2-diethoxyethane 12.25
    benzonitrile 11.17
    trioctyl phosphate 5.02
    1-bromopropane 5.49
    gamma-valerolactone 47.15
    n-decanol 3.33
    triethyl phosphate 6.12
    4-methyl-2-pentanol 4.7
    propionitrile 7.21
    vinylene carbonate 12.74
    1,1,2-trichlorotrifluoroethane 17.78
    DMS 11.44
    cumene 4.16
    2-octanol 4.17
    2-hexanone 8.73
    octyl acetate 5.98
    limonene 4.24
    1,2-dimethoxyethane 23.54
    ethyl orthosilicate 6.99
    tributyl phosphate 4.41
    diacetone alcohol 13.28
    N,N-dimethylaniline 12.81
    acrylonitrile 7.95
    aniline 14.06
    1,3-propanediol 8.22
    bromobenzene 14.7
    dibromomethane 9.76
    1,1,2,2-tetrachloroethane 18.53
    2-methyl-cyclohexyl acetate 10.48
    tetrabutyl urea 6.81
    diisobutyl methanol 3.61
    2-phenylethanol 17.56
    styrene 7.11
    dioctyl adipate 8.52
    dimethyl sulfate 11.22
    ethyl butyrate 8.36
    methyl lactate 7.7
    butyl lactate 13.09
    diethyl carbonate 5.53
    propanediol butyl ether 15.06
    triethyl orthoformate 10.18
    p-tert-butyltoluene 4.57
    methyl 4-tert-butylbenzoate 21.48
    morpholine 33.9
    tert-butylamine 3.41
    n-dodecanol 1.75
    dimethoxymethane 30.65
    ethylene carbonate 9.9
    cyrene 18.68
    2-ethoxyethyl acetate 21.2
    2-ethylhexyl acetate 9.79
    1,2,4-trichlorobenzene 17.97
    4-methylpyridine 24.31
    dibutyl ether 3.58
    2,6-dimethyl-4-heptanol 3.61
    DEF 12.87
    dimethyl isosorbide 31.4
    tetrachloroethylene 13.07
    eugenol 22.53
    triacetin 15.96
    span 80 14.57
    1,4-butanediol 3.19
    1,1-dichloroethane 8.5
    2-methyl-1-pentanol 5.95
    methyl formate 5.06
    2-methyl-1-butanol 7.0
    n-decane 0.25
    butyronitrile 7.4
    3,7-dimethyl-1-octanol 4.67
    1-chlorooctane 1.82
    1-chlorotetradecane 0.4
    n-nonane 0.2
    undecane 0.13
    tert-butylcyclohexane 0.55
    cyclooctane 0.27
    cyclopentanol 6.96
    tetrahydropyran 19.18
    tert-amyl methyl ether 4.72
    2,5,8-trioxanonane 24.56
    1-hexene 1.92
    2-isopropoxyethanol 11.06
    2,2,2-trifluoroethanol 3.06
    methyl butyrate 8.13

    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