O-Acetylursolic Acid

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  • Identifiers

    CAS number
    7372-30-7

    Molecular formula
    C32H50O4

    SMILES
    C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O

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  • Odor profile

    Fragrance
    Woody 87.76%
    Amber 56.16%
    Cedar 55.33%
    Balsamic 51.82%
    Dry 51.37%
    Sandalwood 41.19%
    Pine 40.93%
    Vetiver 40.09%
    Herbal 38.02%
    Spicy 37.66%

     

    Flavor
    Woody 65.6%
    Sweet 53.16%
    Camphor 48.62%
    Pine 48.19%
    Balsam 45.43%
    Herbal 44.98%
    Dry 32.56%
    Fresh 27.99%
    Fruit 27.72%
    Spicy 27.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.9

    pKa est.
    5.17 (weak acid)

    Molecular weight
    498.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    534°C

    Flash point

    • 257.72 ˚C est.

  • Synonyms

    • O-acetylursolic acid
    • (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
    • RefChem:1093610
    • Acetylursolic acid
    • Ursolic acid acetate
    • 7372-30-7
    • Acetyl ursolic acid
    • 3-o-acetylursolic acid
    • MFCD09752431
    • CHEMBL410525
    • Uosolic acid acetate
    • 3-Acetylursolic Acid
    • (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetoxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
    • Acetylursolic acid; 3-Acetylursolic acid
    • 3beta-(Acetyloxy)urs-12-en-28-oic acid
    • MLS000728570
    • SCHEMBL10951133
    • DTXSID40994595
    • CHEBI:175831
    • HY-N2815
    • BDBM50346610
    • AKOS016036256
    • FU65546
    • 3-(Acetyloxy)urs-12-en-28-oic acid
    • NCGC00247636-01
    • DA-60735
    • SMR000445682
    • 3beta-(acetyloxy)-urs-12-en-28-oic acid
    • CS-0023373
    • 372U307
    • A1-34641
    • 7372-30-7

  • Applications

    O-Acetylursolic Acid (CAS 7372-30-7) is primarily used as a chemical building block in the synthesis of triterpenoid derivatives, enabling semi-synthetic modification around the ursane scaffold. In pharmaceutical R&D, it serves as an intermediate for preparing ursane-based compounds. In cosmetics and personal care, it may be employed as a starting material for derivative actives or specialty formulation components. In agrochemical research, it is evaluated as a precursor for triterpenoid-based agrochemicals. In coatings, inks and polymer manufacturing, it functions as a niche intermediate for resins and polymer chemistries. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.41
    methanol 10.54
    isopropanol 15.53
    water 0.01
    ethyl acetate 6.68
    n-propanol 25.99
    acetone 9.85
    n-butanol 20.62
    acetonitrile 3.18
    DMF 60.99
    toluene 12.06
    isobutanol 15.62
    1,4-dioxane 35.22
    methyl acetate 7.06
    THF 58.81
    2-butanone 16.03
    n-pentanol 14.6
    sec-butanol 12.02
    n-hexane 0.49
    ethylene glycol 1.44
    NMP 44.01
    cyclohexane 0.63
    DMSO 14.9
    n-butyl acetate 7.76
    n-octanol 4.43
    chloroform 29.56
    n-propyl acetate 5.74
    acetic acid 6.97
    dichloromethane 15.44
    cyclohexanone 24.75
    propylene glycol 4.21
    isopropyl acetate 6.37
    DMAc 45.66
    2-ethoxyethanol 21.33
    isopentanol 11.68
    n-heptane 0.33
    ethyl formate 4.11
    1,2-dichloroethane 9.98
    n-hexanol 14.36
    2-methoxyethanol 28.64
    isobutyl acetate 5.39
    tetrachloromethane 4.3
    n-pentyl acetate 10.67
    transcutol 26.55
    n-heptanol 8.61
    ethylbenzene 5.29
    MIBK 7.75
    2-propoxyethanol 47.53
    tert-butanol 8.31
    MTBE 7.33
    2-butoxyethanol 24.98
    propionic acid 7.57
    o-xylene 5.97
    formic acid 2.86
    diethyl ether 11.8
    m-xylene 6.54
    p-xylene 5.38
    chlorobenzene 9.89
    dimethyl carbonate 6.88
    n-octane 0.13
    formamide 4.28
    cyclopentanone 31.18
    2-pentanone 12.61
    anisole 10.85
    cyclopentyl methyl ether 17.83
    gamma-butyrolactone 23.08
    1-methoxy-2-propanol 33.44
    pyridine 30.13
    3-pentanone 10.91
    furfural 18.63
    n-dodecane 0.06
    diethylene glycol 18.53
    diisopropyl ether 2.35
    tert-amyl alcohol 6.91
    acetylacetone 9.98
    n-hexadecane 0.08
    acetophenone 9.83
    methyl propionate 10.52
    isopentyl acetate 8.52
    trichloroethylene 22.54
    n-nonanol 5.21
    cyclohexanol 10.65
    benzyl alcohol 13.19
    2-ethylhexanol 5.21
    isooctanol 6.0
    dipropyl ether 6.44
    1,2-dichlorobenzene 8.18
    ethyl lactate 5.37
    propylene carbonate 9.01
    n-methylformamide 14.93
    2-pentanol 8.88
    n-pentane 0.58
    1-propoxy-2-propanol 27.91
    1-methoxy-2-propyl acetate 16.0
    2-(2-methoxypropoxy) propanol 14.09
    mesitylene 3.09
    ε-caprolactone 19.64
    p-cymene 2.56
    epichlorohydrin 30.78
    1,1,1-trichloroethane 8.55
    2-aminoethanol 7.39
    morpholine-4-carbaldehyde 52.86
    sulfolane 26.74
    2,2,4-trimethylpentane 0.33
    2-methyltetrahydrofuran 21.54
    n-hexyl acetate 10.72
    isooctane 0.25
    2-(2-butoxyethoxy)ethanol 19.38
    sec-butyl acetate 4.64
    tert-butyl acetate 6.95
    decalin 0.48
    glycerin 6.41
    diglyme 31.5
    acrylic acid 6.57
    isopropyl myristate 2.92
    n-butyric acid 11.76
    acetyl acetate 4.41
    di(2-ethylhexyl) phthalate 6.32
    ethyl propionate 5.55
    nitromethane 9.52
    1,2-diethoxyethane 9.62
    benzonitrile 8.04
    trioctyl phosphate 3.98
    1-bromopropane 7.67
    gamma-valerolactone 49.26
    n-decanol 2.68
    triethyl phosphate 3.89
    4-methyl-2-pentanol 4.77
    propionitrile 7.59
    vinylene carbonate 10.59
    1,1,2-trichlorotrifluoroethane 21.25
    DMS 8.64
    cumene 3.0
    2-octanol 3.87
    2-hexanone 9.58
    octyl acetate 4.47
    limonene 2.98
    1,2-dimethoxyethane 26.45
    ethyl orthosilicate 4.47
    tributyl phosphate 3.38
    diacetone alcohol 10.86
    N,N-dimethylaniline 8.5
    acrylonitrile 8.24
    aniline 14.35
    1,3-propanediol 14.15
    bromobenzene 9.39
    dibromomethane 11.31
    1,1,2,2-tetrachloroethane 20.98
    2-methyl-cyclohexyl acetate 7.46
    tetrabutyl urea 5.94
    diisobutyl methanol 2.5
    2-phenylethanol 16.22
    styrene 5.45
    dioctyl adipate 5.76
    dimethyl sulfate 10.31
    ethyl butyrate 5.58
    methyl lactate 8.98
    butyl lactate 11.5
    diethyl carbonate 3.36
    propanediol butyl ether 16.08
    triethyl orthoformate 6.27
    p-tert-butyltoluene 2.55
    methyl 4-tert-butylbenzoate 13.41
    morpholine 56.53
    tert-butylamine 4.22
    n-dodecanol 1.37
    dimethoxymethane 38.29
    ethylene carbonate 8.67
    cyrene 18.1
    2-ethoxyethyl acetate 16.47
    2-ethylhexyl acetate 6.97
    1,2,4-trichlorobenzene 12.79
    4-methylpyridine 23.57
    dibutyl ether 2.58
    2,6-dimethyl-4-heptanol 2.5
    DEF 16.1
    dimethyl isosorbide 21.33
    tetrachloroethylene 14.19
    eugenol 15.64
    triacetin 9.78
    span 80 13.25
    1,4-butanediol 5.98
    1,1-dichloroethane 9.66
    2-methyl-1-pentanol 8.94
    methyl formate 7.31
    2-methyl-1-butanol 12.06
    n-decane 0.18
    butyronitrile 7.64
    3,7-dimethyl-1-octanol 3.39
    1-chlorooctane 1.41
    1-chlorotetradecane 0.32
    n-nonane 0.15
    undecane 0.1
    tert-butylcyclohexane 0.41
    cyclooctane 0.28
    cyclopentanol 14.31
    tetrahydropyran 28.92
    tert-amyl methyl ether 5.8
    2,5,8-trioxanonane 17.74
    1-hexene 2.6
    2-isopropoxyethanol 13.94
    2,2,2-trifluoroethanol 3.12
    methyl butyrate 6.81

    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