Ursolic Acid Lactone Acetate

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  • Identifiers

    CAS number
    28290-51-9

    Molecular formula
    C32H50O4

    SMILES
    C[C@@H]1CC[C@]23CC[C@]4([C@@]5(CC[C@@H]6[C@@]([C@H]5CC[C@@]4([C@@H]2[C@H]1C)OC3=O)(CC[C@@H](C6(C)C)OC(=O)C)C)C)C

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  • Odor profile

    Fragrance
    Woody 88.18%
    Amber 59.56%
    Cedar 59.23%
    Dry 52.56%
    Balsamic 44.0%
    Vetiver 41.62%
    Spicy 41.29%
    Pine 38.57%
    Camphoreous 37.51%
    Earthy 37.41%

     

    Flavor
    Woody 59.75%
    Camphor 54.89%
    Herbal 49.51%
    Pine 48.84%
    Balsam 40.54%
    Sweet 38.05%
    Earthy 34.66%
    Bitter 32.77%
    Earth 30.97%
    Spicy 30.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.0

    pKa est.
    6.15 (neutral)

    Molecular weight
    498.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    498°C

    Flash point

    • 232.06 ˚C est.

  • Synonyms

    • ursolic acid lactone acetate
    • ((1S,4S,5R,8R,10S,13R,14R,17S,18R,19S,20R)-4,5,9,9,13,19,20-heptamethyl-23-oxo-24-oxahexacyclo(15.5.2.01,18.04,17.05,14.08,13)tetracosan-10-yl) acetate
    • [(1S,4S,5R,8R,10S,13R,14R,17S,18R,19S,20R)-4,5,9,9,13,19,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate
    • RefChem:193344
    • CHEMBL486180
    • DTXSID601317785
    • 28290-51-9
    • 28-Oxo-13,28-epoxyursan-3beta-yl acetate
    • 28290-51-9

  • Applications

    Ursolic Acid Lactone Acetate, CAS 28290-51-9, is primarily used as an organic-synthesis intermediate, serving as a building block for triterpene derivatives in pharmaceutical and agrochemical research and development. It is also evaluated as a cosmetic formulation intermediate or ingredient, reflecting its natural triterpenoid origin. In the polymer and coatings sector, it can function as a specialty starting material to introduce terpenoid moieties into plastics and coatings formulations. As a chiral building block, it is often explored in the development of specialty chemicals and materials for research purposes, and may serve as a precursor for advanced materials and electronics-related applications in R&D settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.03
    methanol 13.97
    isopropanol 22.17
    water 0.09
    ethyl acetate 27.57
    n-propanol 34.6
    acetone 35.14
    n-butanol 33.59
    acetonitrile 22.83
    DMF 82.05
    toluene 42.73
    isobutanol 27.14
    1,4-dioxane 65.41
    methyl acetate 25.81
    THF 118.47
    2-butanone 42.26
    n-pentanol 26.71
    sec-butanol 15.5
    n-hexane 1.03
    ethylene glycol 3.98
    NMP 111.36
    cyclohexane 1.96
    DMSO 34.6
    n-butyl acetate 24.25
    n-octanol 9.72
    chloroform 97.5
    n-propyl acetate 20.21
    acetic acid 29.69
    dichloromethane 58.43
    cyclohexanone 77.8
    propylene glycol 6.84
    isopropyl acetate 25.51
    DMAc 85.79
    2-ethoxyethanol 37.16
    isopentanol 24.63
    n-heptane 0.7
    ethyl formate 16.44
    1,2-dichloroethane 35.0
    n-hexanol 26.46
    2-methoxyethanol 43.57
    isobutyl acetate 20.48
    tetrachloromethane 16.73
    n-pentyl acetate 29.56
    transcutol 43.97
    n-heptanol 17.63
    ethylbenzene 15.03
    MIBK 27.99
    2-propoxyethanol 75.69
    tert-butanol 14.44
    MTBE 13.19
    2-butoxyethanol 43.23
    propionic acid 25.17
    o-xylene 19.65
    formic acid 10.95
    diethyl ether 24.05
    m-xylene 23.88
    p-xylene 19.1
    chlorobenzene 47.36
    dimethyl carbonate 25.27
    n-octane 0.32
    formamide 16.25
    cyclopentanone 99.12
    2-pentanone 38.31
    anisole 28.76
    cyclopentyl methyl ether 44.88
    gamma-butyrolactone 92.64
    1-methoxy-2-propanol 50.16
    pyridine 79.95
    3-pentanone 35.37
    furfural 72.67
    n-dodecane 0.26
    diethylene glycol 36.46
    diisopropyl ether 7.06
    tert-amyl alcohol 10.95
    acetylacetone 39.73
    n-hexadecane 0.33
    acetophenone 34.35
    methyl propionate 35.28
    isopentyl acetate 27.69
    trichloroethylene 83.31
    n-nonanol 11.68
    cyclohexanol 23.68
    benzyl alcohol 35.33
    2-ethylhexanol 12.58
    isooctanol 14.24
    dipropyl ether 12.7
    1,2-dichlorobenzene 41.33
    ethyl lactate 17.43
    propylene carbonate 42.66
    n-methylformamide 34.52
    2-pentanol 15.84
    n-pentane 1.26
    1-propoxy-2-propanol 44.78
    1-methoxy-2-propyl acetate 44.06
    2-(2-methoxypropoxy) propanol 27.67
    mesitylene 11.49
    ε-caprolactone 64.44
    p-cymene 8.45
    epichlorohydrin 90.92
    1,1,1-trichloroethane 37.69
    2-aminoethanol 14.01
    morpholine-4-carbaldehyde 109.38
    sulfolane 92.94
    2,2,4-trimethylpentane 0.8
    2-methyltetrahydrofuran 49.8
    n-hexyl acetate 28.95
    isooctane 0.7
    2-(2-butoxyethoxy)ethanol 34.01
    sec-butyl acetate 16.55
    tert-butyl acetate 25.17
    decalin 1.55
    glycerin 13.37
    diglyme 57.69
    acrylic acid 25.43
    isopropyl myristate 10.7
    n-butyric acid 37.47
    acetyl acetate 24.95
    di(2-ethylhexyl) phthalate 19.07
    ethyl propionate 20.38
    nitromethane 45.57
    1,2-diethoxyethane 19.91
    benzonitrile 37.99
    trioctyl phosphate 13.03
    1-bromopropane 23.99
    gamma-valerolactone 149.1
    n-decanol 6.97
    triethyl phosphate 13.72
    4-methyl-2-pentanol 11.79
    propionitrile 34.05
    vinylene carbonate 50.61
    1,1,2-trichlorotrifluoroethane 55.66
    DMS 28.23
    cumene 9.51
    2-octanol 8.57
    2-hexanone 26.55
    octyl acetate 15.11
    limonene 8.84
    1,2-dimethoxyethane 45.22
    ethyl orthosilicate 13.51
    tributyl phosphate 11.91
    diacetone alcohol 28.43
    N,N-dimethylaniline 20.01
    acrylonitrile 37.86
    aniline 42.67
    1,3-propanediol 25.99
    bromobenzene 47.73
    dibromomethane 40.81
    1,1,2,2-tetrachloroethane 62.59
    2-methyl-cyclohexyl acetate 24.53
    tetrabutyl urea 17.63
    diisobutyl methanol 6.41
    2-phenylethanol 41.14
    styrene 17.36
    dioctyl adipate 18.94
    dimethyl sulfate 37.53
    ethyl butyrate 19.25
    methyl lactate 24.97
    butyl lactate 26.85
    diethyl carbonate 13.76
    propanediol butyl ether 26.81
    triethyl orthoformate 18.29
    p-tert-butyltoluene 8.18
    methyl 4-tert-butylbenzoate 38.14
    morpholine 78.78
    tert-butylamine 7.93
    n-dodecanol 4.26
    dimethoxymethane 63.46
    ethylene carbonate 41.79
    cyrene 46.95
    2-ethoxyethyl acetate 41.78
    2-ethylhexyl acetate 23.42
    1,2,4-trichlorobenzene 52.6
    4-methylpyridine 74.34
    dibutyl ether 6.68
    2,6-dimethyl-4-heptanol 6.41
    DEF 41.41
    dimethyl isosorbide 51.35
    tetrachloroethylene 45.76
    eugenol 39.57
    triacetin 32.68
    span 80 27.64
    1,4-butanediol 14.11
    1,1-dichloroethane 35.06
    2-methyl-1-pentanol 19.24
    methyl formate 21.89
    2-methyl-1-butanol 22.54
    n-decane 0.61
    butyronitrile 29.27
    3,7-dimethyl-1-octanol 9.03
    1-chlorooctane 4.42
    1-chlorotetradecane 1.44
    n-nonane 0.44
    undecane 0.38
    tert-butylcyclohexane 1.21
    cyclooctane 0.82
    cyclopentanol 30.28
    tetrahydropyran 55.37
    tert-amyl methyl ether 11.36
    2,5,8-trioxanonane 36.27
    1-hexene 5.86
    2-isopropoxyethanol 27.6
    2,2,2-trifluoroethanol 17.83
    methyl butyrate 23.32

    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