3alpha,5,6beta,24-Tetrahydroxyurs-12-en-28-oic acid

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  • Identifiers

    CAS number
    22882-19-5

    Molecular formula
    C30H48O6

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 70.02%
    Balsamic 44.22%
    Spicy 39.56%
    Amber 39.01%
    Cedar 35.62%
    Dry 34.1%
    Camphoreous 33.33%
    Herbal 33.25%
    Sandalwood 31.92%
    Odorless 30.71%

     

    Flavor
    Bitter 59.45%
    Woody 33.54%
    Pine 30.84%
    Camphor 30.47%
    Herbal 29.2%
    Balsam 28.21%
    Sweet 26.17%
    Minty 25.65%
    Odorless 24.03%
    Patchouli 23.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    5.69 (weak acid)

    Molecular weight
    504.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    158°C

    Flash point

    • 300.81 ˚C est.

  • Synonyms

    • DTXSID001193230
    • 3alpha,5,6beta,24-Tetrahydroxyurs-12-en-28-oic acid
    • Urs-12-en-28-oic acid, 3,5,6,23-tetrahydroxy-, (3I+/-,4I(2),6I(2))-
    • 22882-19-5
    • 22882-19-5

  • Applications

    3alpha,5,6beta,24-Tetrahydroxyurs-12-en-28-oic acid (CAS 22882-19-5) is commonly used as a chiral building block and intermediate in the synthesis of complex ursane-type triterpenoid derivatives. In industrial manufacturing, it is often evaluated as a scaffold for chemical derivatization to access new compounds for research and development. In pharmaceutical research, it serves as a starting point for the preparation of triterpenoid-based derivatives. In cosmetics and personal care, it may be used as a structural component or building block in formulation development, leveraging its polyhydroxylated profile. In coatings or polymers, it can be explored as a natural-product-based additive or functional modifier in specialty formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.94
    methanol 24.25
    isopropanol 3.73
    water 0.01
    ethyl acetate 1.31
    n-propanol 5.94
    acetone 4.21
    n-butanol 3.18
    acetonitrile 0.83
    DMF 32.4
    toluene 1.01
    isobutanol 2.38
    1,4-dioxane 15.39
    methyl acetate 1.51
    THF 28.31
    2-butanone 3.19
    n-pentanol 2.28
    sec-butanol 1.35
    n-hexane 0.07
    ethylene glycol 2.44
    NMP 15.52
    cyclohexane 0.08
    DMSO 20.68
    n-butyl acetate 1.27
    n-octanol 1.12
    chloroform 3.01
    n-propyl acetate 0.98
    acetic acid 4.48
    dichloromethane 2.17
    cyclohexanone 4.95
    propylene glycol 3.36
    isopropyl acetate 1.09
    DMAc 14.44
    2-ethoxyethanol 10.51
    isopentanol 1.67
    n-heptane 0.06
    ethyl formate 1.47
    1,2-dichloroethane 1.55
    n-hexanol 2.31
    2-methoxyethanol 25.42
    isobutyl acetate 0.71
    tetrachloromethane 0.49
    n-pentyl acetate 2.3
    transcutol 10.23
    n-heptanol 2.25
    ethylbenzene 0.55
    MIBK 1.5
    2-propoxyethanol 17.52
    tert-butanol 1.99
    MTBE 1.05
    2-butoxyethanol 10.13
    propionic acid 1.98
    o-xylene 0.61
    formic acid 5.21
    diethyl ether 1.82
    m-xylene 0.73
    p-xylene 0.58
    chlorobenzene 0.8
    dimethyl carbonate 2.2
    n-octane 0.04
    formamide 5.98
    cyclopentanone 9.63
    2-pentanone 2.29
    anisole 1.72
    cyclopentyl methyl ether 3.54
    gamma-butyrolactone 7.65
    1-methoxy-2-propanol 15.74
    pyridine 6.73
    3-pentanone 1.68
    furfural 6.93
    n-dodecane 0.01
    diethylene glycol 13.46
    diisopropyl ether 0.32
    tert-amyl alcohol 1.0
    acetylacetone 3.21
    n-hexadecane 0.02
    acetophenone 1.96
    methyl propionate 2.2
    isopentyl acetate 1.27
    trichloroethylene 3.35
    n-nonanol 1.22
    cyclohexanol 1.3
    benzyl alcohol 3.01
    2-ethylhexanol 0.74
    isooctanol 1.47
    dipropyl ether 1.03
    1,2-dichlorobenzene 0.73
    ethyl lactate 1.38
    propylene carbonate 2.21
    n-methylformamide 10.62
    2-pentanol 0.93
    n-pentane 0.07
    1-propoxy-2-propanol 7.65
    1-methoxy-2-propyl acetate 3.96
    2-(2-methoxypropoxy) propanol 4.51
    mesitylene 0.4
    ε-caprolactone 3.84
    p-cymene 0.36
    epichlorohydrin 9.94
    1,1,1-trichloroethane 0.7
    2-aminoethanol 6.96
    morpholine-4-carbaldehyde 24.13
    sulfolane 12.47
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 3.94
    n-hexyl acetate 2.16
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 7.7
    sec-butyl acetate 0.6
    tert-butyl acetate 1.41
    decalin 0.06
    glycerin 7.25
    diglyme 13.4
    acrylic acid 2.56
    isopropyl myristate 0.45
    n-butyric acid 2.37
    acetyl acetate 0.99
    di(2-ethylhexyl) phthalate 1.33
    ethyl propionate 0.88
    nitromethane 5.91
    1,2-diethoxyethane 2.47
    benzonitrile 1.32
    trioctyl phosphate 0.87
    1-bromopropane 0.61
    gamma-valerolactone 21.73
    n-decanol 0.56
    triethyl phosphate 0.64
    4-methyl-2-pentanol 0.68
    propionitrile 1.06
    vinylene carbonate 2.69
    1,1,2-trichlorotrifluoroethane 9.35
    DMS 1.92
    cumene 0.38
    2-octanol 0.82
    2-hexanone 1.6
    octyl acetate 0.82
    limonene 0.41
    1,2-dimethoxyethane 11.74
    ethyl orthosilicate 0.71
    tributyl phosphate 0.63
    diacetone alcohol 3.18
    N,N-dimethylaniline 1.53
    acrylonitrile 1.82
    aniline 1.87
    1,3-propanediol 9.43
    bromobenzene 0.62
    dibromomethane 1.24
    1,1,2,2-tetrachloroethane 2.77
    2-methyl-cyclohexyl acetate 1.12
    tetrabutyl urea 1.17
    diisobutyl methanol 0.44
    2-phenylethanol 3.27
    styrene 0.53
    dioctyl adipate 1.0
    dimethyl sulfate 3.77
    ethyl butyrate 0.82
    methyl lactate 3.43
    butyl lactate 2.91
    diethyl carbonate 0.5
    propanediol butyl ether 7.89
    triethyl orthoformate 1.04
    p-tert-butyltoluene 0.38
    methyl 4-tert-butylbenzoate 3.59
    morpholine 19.92
    tert-butylamine 0.61
    n-dodecanol 0.26
    dimethoxymethane 21.38
    ethylene carbonate 2.05
    cyrene 6.29
    2-ethoxyethyl acetate 4.83
    2-ethylhexyl acetate 0.91
    1,2,4-trichlorobenzene 1.14
    4-methylpyridine 3.37
    dibutyl ether 0.46
    2,6-dimethyl-4-heptanol 0.44
    DEF 3.39
    dimethyl isosorbide 7.16
    tetrachloroethylene 2.63
    eugenol 4.58
    triacetin 2.37
    span 80 4.29
    1,4-butanediol 3.14
    1,1-dichloroethane 0.86
    2-methyl-1-pentanol 1.23
    methyl formate 5.87
    2-methyl-1-butanol 1.44
    n-decane 0.04
    butyronitrile 0.98
    3,7-dimethyl-1-octanol 0.68
    1-chlorooctane 0.25
    1-chlorotetradecane 0.05
    n-nonane 0.04
    undecane 0.02
    tert-butylcyclohexane 0.05
    cyclooctane 0.04
    cyclopentanol 2.64
    tetrahydropyran 4.7
    tert-amyl methyl ether 0.75
    2,5,8-trioxanonane 7.29
    1-hexene 0.28
    2-isopropoxyethanol 4.57
    2,2,2-trifluoroethanol 1.58
    methyl butyrate 1.21

    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