Methyl Ursolate

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  • Identifiers

    CAS number
    32208-45-0

    Molecular formula
    C31H50O3

    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)O)C)C)[C@@H]2[C@H]1C)C)C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Woody 89.42%
    Amber 59.24%
    Cedar 54.55%
    Dry 52.58%
    Sandalwood 49.42%
    Balsamic 44.26%
    Vetiver 42.05%
    Musk 40.23%
    Earthy 37.16%
    Spicy 37.01%

     

    Flavor
    Woody 68.62%
    Camphor 53.38%
    Pine 52.41%
    Balsam 47.42%
    Sweet 44.83%
    Herbal 44.61%
    Earthy 41.09%
    Earth 34.4%
    Dry 33.56%
    Spicy 32.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.7

    pKa est.
    6.27 (neutral)

    Molecular weight
    470.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    471°C

    Flash point

    • 235.91 ˚C est.

  • Synonyms

    • Methyl ursolate
    • methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-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-carboxylate
    • DTXSID60348374
    • RefChem:158054
    • DTXCID90299446
    • Ursolic acid methyl ester
    • 32208-45-0
    • MFCD00017383
    • 915-32-2
    • Ursolic acid methylester
    • Ursolic acid, methyl ester
    • methylursolate
    • 3beta-Hydroxyurs-12-en-28-oic acid methyl ester
    • CHEMBL260673
    • MEGxp0_001727
    • orb1679986
    • SCHEMBL3917132
    • BDBM50058810
    • AKOS016036340
    • FU65875
    • URSOLIC ACID METHYLESTER with HPLC
    • NS00058736
    • (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,14bS)-10-Hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid methyl ester
    • 32208-45-0

  • Applications

    Methyl Ursolate (CAS 32208-45-0) is a lipophilic ester derived from ursolic acid. In practice, it may serve as an intermediate in organic synthesis; it can function as a fragrance odorant or fragrance component in perfumery and personal care products; it can be evaluated as a cosmetic ingredient or precursor for more complex aroma compounds; in polymer and coatings applications it may be used as a processing aid or polymer/plasticizer-related additive to modify resin properties; in industrial manufacturing it may act as a building block in organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.79
    methanol 6.51
    isopropanol 10.2
    water 0.01
    ethyl acetate 6.8
    n-propanol 16.59
    acetone 8.85
    n-butanol 16.0
    acetonitrile 2.91
    DMF 39.89
    toluene 15.53
    isobutanol 12.0
    1,4-dioxane 29.68
    methyl acetate 6.2
    THF 41.04
    2-butanone 12.52
    n-pentanol 11.73
    sec-butanol 7.22
    n-hexane 0.62
    ethylene glycol 1.05
    NMP 36.41
    cyclohexane 0.81
    DMSO 9.13
    n-butyl acetate 7.84
    n-octanol 5.17
    chloroform 26.7
    n-propyl acetate 5.8
    acetic acid 6.25
    dichloromethane 13.93
    cyclohexanone 21.56
    propylene glycol 2.59
    isopropyl acetate 7.36
    DMAc 32.9
    2-ethoxyethanol 16.79
    isopentanol 11.1
    n-heptane 0.53
    ethyl formate 3.36
    1,2-dichloroethane 9.19
    n-hexanol 12.65
    2-methoxyethanol 20.3
    isobutyl acetate 6.37
    tetrachloromethane 4.71
    n-pentyl acetate 11.91
    transcutol 32.93
    n-heptanol 9.78
    ethylbenzene 6.51
    MIBK 8.92
    2-propoxyethanol 40.72
    tert-butanol 6.98
    MTBE 6.73
    2-butoxyethanol 25.94
    propionic acid 6.2
    o-xylene 7.91
    formic acid 2.3
    diethyl ether 11.04
    m-xylene 9.79
    p-xylene 6.55
    chlorobenzene 11.91
    dimethyl carbonate 7.34
    n-octane 0.19
    formamide 3.45
    cyclopentanone 25.53
    2-pentanone 11.44
    anisole 13.58
    cyclopentyl methyl ether 17.23
    gamma-butyrolactone 19.36
    1-methoxy-2-propanol 25.99
    pyridine 27.02
    3-pentanone 10.46
    furfural 18.21
    n-dodecane 0.09
    diethylene glycol 15.4
    diisopropyl ether 3.05
    tert-amyl alcohol 5.03
    acetylacetone 11.1
    n-hexadecane 0.12
    acetophenone 11.69
    methyl propionate 10.07
    isopentyl acetate 9.98
    trichloroethylene 22.08
    n-nonanol 6.3
    cyclohexanol 9.08
    benzyl alcohol 13.62
    2-ethylhexanol 6.03
    isooctanol 7.7
    dipropyl ether 7.41
    1,2-dichlorobenzene 10.48
    ethyl lactate 5.27
    propylene carbonate 8.55
    n-methylformamide 9.63
    2-pentanol 7.62
    n-pentane 0.73
    1-propoxy-2-propanol 25.31
    1-methoxy-2-propyl acetate 17.86
    2-(2-methoxypropoxy) propanol 15.71
    mesitylene 4.81
    ε-caprolactone 17.69
    p-cymene 3.97
    epichlorohydrin 24.58
    1,1,1-trichloroethane 9.2
    2-aminoethanol 4.8
    morpholine-4-carbaldehyde 44.99
    sulfolane 23.2
    2,2,4-trimethylpentane 0.47
    2-methyltetrahydrofuran 15.29
    n-hexyl acetate 11.99
    isooctane 0.43
    2-(2-butoxyethoxy)ethanol 22.2
    sec-butyl acetate 5.29
    tert-butyl acetate 8.96
    decalin 0.68
    glycerin 4.79
    diglyme 35.13
    acrylic acid 5.64
    isopropyl myristate 3.8
    n-butyric acid 10.49
    acetyl acetate 5.72
    di(2-ethylhexyl) phthalate 7.46
    ethyl propionate 5.98
    nitromethane 8.47
    1,2-diethoxyethane 10.97
    benzonitrile 9.06
    trioctyl phosphate 4.76
    1-bromopropane 6.53
    gamma-valerolactone 41.82
    n-decanol 3.42
    triethyl phosphate 5.0
    4-methyl-2-pentanol 5.34
    propionitrile 6.72
    vinylene carbonate 10.62
    1,1,2-trichlorotrifluoroethane 18.89
    DMS 10.04
    cumene 4.02
    2-octanol 4.47
    2-hexanone 8.69
    octyl acetate 5.36
    limonene 4.13
    1,2-dimethoxyethane 21.86
    ethyl orthosilicate 5.89
    tributyl phosphate 3.93
    diacetone alcohol 12.06
    N,N-dimethylaniline 11.24
    acrylonitrile 7.15
    aniline 15.68
    1,3-propanediol 10.17
    bromobenzene 12.34
    dibromomethane 10.17
    1,1,2,2-tetrachloroethane 19.47
    2-methyl-cyclohexyl acetate 9.05
    tetrabutyl urea 6.4
    diisobutyl methanol 3.53
    2-phenylethanol 17.65
    styrene 6.89
    dioctyl adipate 7.09
    dimethyl sulfate 10.57
    ethyl butyrate 6.37
    methyl lactate 8.07
    butyl lactate 12.27
    diethyl carbonate 4.11
    propanediol butyl ether 15.81
    triethyl orthoformate 7.83
    p-tert-butyltoluene 4.26
    methyl 4-tert-butylbenzoate 18.18
    morpholine 40.23
    tert-butylamine 4.23
    n-dodecanol 1.8
    dimethoxymethane 30.54
    ethylene carbonate 8.5
    cyrene 18.79
    2-ethoxyethyl acetate 18.09
    2-ethylhexyl acetate 8.07
    1,2,4-trichlorobenzene 15.56
    4-methylpyridine 22.63
    dibutyl ether 3.28
    2,6-dimethyl-4-heptanol 3.53
    DEF 14.5
    dimethyl isosorbide 25.04
    tetrachloroethylene 13.7
    eugenol 19.17
    triacetin 12.59
    span 80 14.17
    1,4-butanediol 4.33
    1,1-dichloroethane 8.42
    2-methyl-1-pentanol 8.13
    methyl formate 5.51
    2-methyl-1-butanol 10.4
    n-decane 0.27
    butyronitrile 6.64
    3,7-dimethyl-1-octanol 4.51
    1-chlorooctane 1.81
    1-chlorotetradecane 0.43
    n-nonane 0.22
    undecane 0.15
    tert-butylcyclohexane 0.64
    cyclooctane 0.44
    cyclopentanol 9.81
    tetrahydropyran 21.64
    tert-amyl methyl ether 5.52
    2,5,8-trioxanonane 21.06
    1-hexene 2.65
    2-isopropoxyethanol 12.74
    2,2,2-trifluoroethanol 3.08
    methyl butyrate 6.84

    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