Benzyl ursolate

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  • Identifiers

    CAS number
    192211-41-9

    Molecular formula
    C37H54O3

    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)OCC6=CC=CC=C6

    Safety labels

  • Odor profile

    Fragrance
    Woody 83.84%
    Amber 56.53%
    Sandalwood 49.87%
    Balsamic 49.41%
    Cedar 47.2%
    Dry 46.06%
    Musk 40.49%
    Vetiver 39.16%
    Herbal 33.69%
    Animal 32.5%

     

    Flavor
    Woody 59.11%
    Balsam 46.23%
    Camphor 41.71%
    Pine 41.06%
    Herbal 40.68%
    Sweet 39.02%
    Earthy 37.22%
    Spicy 30.91%
    Bitter 29.56%
    Earth 28.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.2

    pKa est.
    5.68 (weak acid)

    Molecular weight
    546.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    568°C

    Flash point

    • 247.84 ˚C est.

  • Synonyms

    • Benzyl ursolate
    • 192211-41-9
    • UNII-G6IKF0I8B4
    • G6IKF0I8B4
    • URSOLIC ACID BENZYL ESTER
    • DTXSID30172800
    • URS-12-EN-28-OIC ACID, 3-HYDROXY-, PHENYLMETHYL ESTER, (3.BETA.)-
    • RefChem:118906
    • BENZYL URSOLATE [INCI]
    • DTXCID6095291
    • URS-12-EN-28-OIC ACID, 3-HYDROXY-, PHENYLMETHYL ESTER, (3BETA)-
    • benzyl (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
    • SCHEMBL9891363
    • CHEMBL5197741
    • Benzyl 3beta-hydroxyurs-12-en-28-oate
    • 211B419
    • Q27278843
    • (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-benzyl 10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4-a-carboxylate
    • 192211-41-9

  • Applications

    Benzyl ursolate (CAS 192211-41-9) is primarily viewed as an intermediate and starting material for the synthesis of ursane-type triterpenoid derivatives. In cosmetics and personal care, it can serve as an ester-based carrier for active ingredients or as a fragrance component and a basis for emollient formulations. In fragrance/perfumery, it may function as a fragrance ingredient or a fixative. In polymers and plastics processing, it can be used as a specialty intermediate or processing aid to improve material properties. In coatings and inks and cleaning applications, it may be used as a fragrance additive or intermediate for niche formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.5
    methanol 2.86
    isopropanol 2.68
    water 0.0
    ethyl acetate 3.52
    n-propanol 5.87
    acetone 3.98
    n-butanol 6.44
    acetonitrile 0.94
    DMF 13.34
    toluene 7.98
    isobutanol 4.04
    1,4-dioxane 12.26
    methyl acetate 3.21
    THF 18.99
    2-butanone 7.02
    n-pentanol 5.6
    sec-butanol 2.76
    n-hexane 0.34
    ethylene glycol 0.3
    NMP 17.77
    cyclohexane 0.33
    DMSO 3.84
    n-butyl acetate 4.44
    n-octanol 2.55
    chloroform 19.57
    n-propyl acetate 3.38
    acetic acid 3.14
    dichloromethane 10.28
    cyclohexanone 12.76
    propylene glycol 0.82
    isopropyl acetate 3.72
    DMAc 19.95
    2-ethoxyethanol 8.47
    isopentanol 4.77
    n-heptane 0.33
    ethyl formate 2.04
    1,2-dichloroethane 5.36
    n-hexanol 5.67
    2-methoxyethanol 9.08
    isobutyl acetate 3.49
    tetrachloromethane 2.7
    n-pentyl acetate 7.22
    transcutol 18.46
    n-heptanol 5.01
    ethylbenzene 3.91
    MIBK 5.06
    2-propoxyethanol 19.47
    tert-butanol 2.15
    MTBE 3.56
    2-butoxyethanol 14.73
    propionic acid 2.92
    o-xylene 4.18
    formic acid 1.14
    diethyl ether 4.82
    m-xylene 4.96
    p-xylene 3.58
    chlorobenzene 6.58
    dimethyl carbonate 3.52
    n-octane 0.12
    formamide 1.57
    cyclopentanone 13.75
    2-pentanone 6.7
    anisole 7.93
    cyclopentyl methyl ether 8.5
    gamma-butyrolactone 10.37
    1-methoxy-2-propanol 10.68
    pyridine 13.44
    3-pentanone 5.78
    furfural 9.38
    n-dodecane 0.06
    diethylene glycol 5.65
    diisopropyl ether 1.33
    tert-amyl alcohol 2.26
    acetylacetone 5.66
    n-hexadecane 0.07
    acetophenone 6.97
    methyl propionate 5.16
    isopentyl acetate 5.48
    trichloroethylene 14.4
    n-nonanol 3.25
    cyclohexanol 3.6
    benzyl alcohol 7.14
    2-ethylhexanol 3.13
    isooctanol 3.93
    dipropyl ether 4.3
    1,2-dichlorobenzene 5.84
    ethyl lactate 2.77
    propylene carbonate 4.73
    n-methylformamide 3.97
    2-pentanol 2.86
    n-pentane 0.32
    1-propoxy-2-propanol 12.58
    1-methoxy-2-propyl acetate 9.37
    2-(2-methoxypropoxy) propanol 9.18
    mesitylene 2.5
    ε-caprolactone 10.83
    p-cymene 2.19
    epichlorohydrin 14.22
    1,1,1-trichloroethane 5.31
    2-aminoethanol 1.59
    morpholine-4-carbaldehyde 21.47
    sulfolane 12.24
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 7.49
    n-hexyl acetate 6.98
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 12.33
    sec-butyl acetate 2.97
    tert-butyl acetate 4.65
    decalin 0.35
    glycerin 1.63
    diglyme 20.17
    acrylic acid 2.68
    isopropyl myristate 2.12
    n-butyric acid 6.01
    acetyl acetate 2.68
    di(2-ethylhexyl) phthalate 4.13
    ethyl propionate 3.32
    nitromethane 4.1
    1,2-diethoxyethane 6.46
    benzonitrile 3.9
    trioctyl phosphate 2.46
    1-bromopropane 3.96
    gamma-valerolactone 25.3
    n-decanol 1.69
    triethyl phosphate 2.7
    4-methyl-2-pentanol 2.3
    propionitrile 2.31
    vinylene carbonate 6.04
    1,1,2-trichlorotrifluoroethane 11.99
    DMS 5.14
    cumene 2.43
    2-octanol 2.32
    2-hexanone 5.61
    octyl acetate 3.05
    limonene 2.25
    1,2-dimethoxyethane 12.9
    ethyl orthosilicate 3.28
    tributyl phosphate 2.14
    diacetone alcohol 6.16
    N,N-dimethylaniline 6.57
    acrylonitrile 2.63
    aniline 7.17
    1,3-propanediol 3.75
    bromobenzene 7.05
    dibromomethane 7.09
    1,1,2,2-tetrachloroethane 12.11
    2-methyl-cyclohexyl acetate 5.18
    tetrabutyl urea 3.64
    diisobutyl methanol 1.84
    2-phenylethanol 8.66
    styrene 4.0
    dioctyl adipate 4.02
    dimethyl sulfate 5.55
    ethyl butyrate 3.76
    methyl lactate 3.97
    butyl lactate 6.94
    diethyl carbonate 2.16
    propanediol butyl ether 7.9
    triethyl orthoformate 4.45
    p-tert-butyltoluene 2.31
    methyl 4-tert-butylbenzoate 10.04
    morpholine 16.46
    tert-butylamine 1.29
    n-dodecanol 0.89
    dimethoxymethane 14.06
    ethylene carbonate 4.81
    cyrene 10.03
    2-ethoxyethyl acetate 10.67
    2-ethylhexyl acetate 4.54
    1,2,4-trichlorobenzene 8.49
    4-methylpyridine 11.56
    dibutyl ether 2.02
    2,6-dimethyl-4-heptanol 1.84
    DEF 7.89
    dimethyl isosorbide 13.63
    tetrachloroethylene 8.9
    eugenol 10.42
    triacetin 6.94
    span 80 8.19
    1,4-butanediol 1.65
    1,1-dichloroethane 5.03
    2-methyl-1-pentanol 4.48
    methyl formate 2.53
    2-methyl-1-butanol 4.73
    n-decane 0.17
    butyronitrile 2.64
    3,7-dimethyl-1-octanol 2.19
    1-chlorooctane 1.06
    1-chlorotetradecane 0.26
    n-nonane 0.14
    undecane 0.09
    tert-butylcyclohexane 0.36
    cyclooctane 0.21
    cyclopentanol 3.44
    tetrahydropyran 9.64
    tert-amyl methyl ether 3.2
    2,5,8-trioxanonane 11.76
    1-hexene 1.54
    2-isopropoxyethanol 6.52
    2,2,2-trifluoroethanol 1.47
    methyl butyrate 4.13

    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