3beta,16alpha,21beta,28-Tetrahydroxyolean-12-en-22alpha-yl (2Z)-2-methylbut-2-enoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    200492-43-9

    Molecular formula
    C35H56O6

    SMILES
    C/C=C(/C)\C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H](C[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)O)CO)(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 74.24%
    Balsamic 44.01%
    Amber 40.78%
    Sweet 40.69%
    Herbal 39.05%
    Camphoreous 38.2%
    Cedar 38.1%
    Spicy 36.68%
    Dry 36.16%
    Mint 35.29%

     

    Flavor
    Bitter 59.11%
    Woody 51.03%
    Pine 38.82%
    Camphor 37.34%
    Herbal 35.53%
    Balsam 34.33%
    Sweet 28.47%
    Spicy 24.75%
    Minty 22.82%
    Fir 22.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    5.78 (weak acid)

    Molecular weight
    572.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    129°C

    Flash point

    • 260.73 ˚C est.

  • Synonyms

    • DTXSID801131220
    • 3beta,16alpha,21beta,28-Tetrahydroxyolean-12-en-22alpha-yl (2Z)-2-methylbut-2-enoate
    • 200492-43-9
    • Olean-12-ene-3,16,21,22,28-pentol, 22-(2-methyl-2-butenoate), [3I(2),16I+/-,21I(2),22I+/-(Z)]-
    • 200492-43-9

  • Applications

    3beta,16alpha,21beta,28-Tetrahydroxyolean-12-en-22alpha-yl (2Z)-2-methylbut-2-enoate (CAS 200492-43-9) is a polyhydroxylated oleanane ester typically evaluated as an intermediate and a formulation additive across several industries; in cosmetics and personal care, it can serve as an emollient component and as a fragrance modifier or fixative; in perfumery, it may act as a natural-appearing odorant; in pharmaceuticals, it is commonly studied as a synthetic precursor for semi-synthetic triterpenoid APIs; in coatings/inks and in polymers/plastics, it can function as a bio-based resin modifier or plasticizer to improve film formation, gloss, and flexibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.36
    methanol 27.76
    isopropanol 10.48
    water 0.01
    ethyl acetate 14.34
    n-propanol 23.92
    acetone 14.29
    n-butanol 14.52
    acetonitrile 3.04
    DMF 136.96
    toluene 10.55
    isobutanol 10.8
    1,4-dioxane 70.73
    methyl acetate 12.95
    THF 165.86
    2-butanone 20.6
    n-pentanol 11.35
    sec-butanol 9.23
    n-hexane 0.45
    ethylene glycol 2.99
    NMP 126.78
    cyclohexane 0.61
    DMSO 49.25
    n-butyl acetate 9.54
    n-octanol 4.87
    chloroform 40.1
    n-propyl acetate 7.42
    acetic acid 28.63
    dichloromethane 25.47
    cyclohexanone 34.01
    propylene glycol 9.27
    isopropyl acetate 11.34
    DMAc 101.19
    2-ethoxyethanol 40.25
    isopentanol 8.29
    n-heptane 0.39
    ethyl formate 9.08
    1,2-dichloroethane 13.06
    n-hexanol 11.53
    2-methoxyethanol 81.72
    isobutyl acetate 5.4
    tetrachloromethane 4.35
    n-pentyl acetate 12.77
    transcutol 64.42
    n-heptanol 8.68
    ethylbenzene 4.15
    MIBK 9.75
    2-propoxyethanol 71.9
    tert-butanol 7.29
    MTBE 8.87
    2-butoxyethanol 37.29
    propionic acid 16.43
    o-xylene 5.39
    formic acid 12.76
    diethyl ether 13.31
    m-xylene 6.14
    p-xylene 3.67
    chlorobenzene 9.18
    dimethyl carbonate 22.08
    n-octane 0.15
    formamide 14.82
    cyclopentanone 65.08
    2-pentanone 18.15
    anisole 13.51
    cyclopentyl methyl ether 36.95
    gamma-butyrolactone 66.96
    1-methoxy-2-propanol 75.63
    pyridine 44.41
    3-pentanone 13.76
    furfural 47.53
    n-dodecane 0.07
    diethylene glycol 33.04
    diisopropyl ether 2.58
    tert-amyl alcohol 7.48
    acetylacetone 22.28
    n-hexadecane 0.09
    acetophenone 13.13
    methyl propionate 23.23
    isopentyl acetate 8.97
    trichloroethylene 39.63
    n-nonanol 5.36
    cyclohexanol 9.21
    benzyl alcohol 16.18
    2-ethylhexanol 4.41
    isooctanol 5.91
    dipropyl ether 7.5
    1,2-dichlorobenzene 8.35
    ethyl lactate 9.57
    propylene carbonate 21.98
    n-methylformamide 41.28
    2-pentanol 6.56
    n-pentane 0.51
    1-propoxy-2-propanol 37.81
    1-methoxy-2-propyl acetate 29.08
    2-(2-methoxypropoxy) propanol 20.61
    mesitylene 2.76
    ε-caprolactone 37.78
    p-cymene 2.26
    epichlorohydrin 77.83
    1,1,1-trichloroethane 9.64
    2-aminoethanol 14.31
    morpholine-4-carbaldehyde 144.69
    sulfolane 85.09
    2,2,4-trimethylpentane 0.33
    2-methyltetrahydrofuran 42.57
    n-hexyl acetate 13.4
    isooctane 0.24
    2-(2-butoxyethoxy)ethanol 30.74
    sec-butyl acetate 5.61
    tert-butyl acetate 12.32
    decalin 0.42
    glycerin 19.55
    diglyme 56.52
    acrylic acid 18.23
    isopropyl myristate 3.04
    n-butyric acid 24.73
    acetyl acetate 10.36
    di(2-ethylhexyl) phthalate 5.98
    ethyl propionate 8.1
    nitromethane 32.08
    1,2-diethoxyethane 13.88
    benzonitrile 7.3
    trioctyl phosphate 4.22
    1-bromopropane 6.58
    gamma-valerolactone 128.26
    n-decanol 2.63
    triethyl phosphate 4.95
    4-methyl-2-pentanol 3.95
    propionitrile 5.36
    vinylene carbonate 23.6
    1,1,2-trichlorotrifluoroethane 64.33
    DMS 14.43
    cumene 2.43
    2-octanol 3.65
    2-hexanone 9.34
    octyl acetate 5.4
    limonene 3.09
    1,2-dimethoxyethane 46.18
    ethyl orthosilicate 5.02
    tributyl phosphate 3.57
    diacetone alcohol 20.99
    N,N-dimethylaniline 10.92
    acrylonitrile 9.06
    aniline 15.88
    1,3-propanediol 23.7
    bromobenzene 8.62
    dibromomethane 14.32
    1,1,2,2-tetrachloroethane 31.62
    2-methyl-cyclohexyl acetate 7.87
    tetrabutyl urea 6.01
    diisobutyl methanol 2.22
    2-phenylethanol 16.27
    styrene 4.7
    dioctyl adipate 6.55
    dimethyl sulfate 36.94
    ethyl butyrate 7.19
    methyl lactate 27.56
    butyl lactate 15.81
    diethyl carbonate 4.18
    propanediol butyl ether 26.59
    triethyl orthoformate 7.87
    p-tert-butyltoluene 2.51
    methyl 4-tert-butylbenzoate 19.65
    morpholine 108.0
    tert-butylamine 2.67
    n-dodecanol 1.34
    dimethoxymethane 105.9
    ethylene carbonate 17.68
    cyrene 33.68
    2-ethoxyethyl acetate 25.92
    2-ethylhexyl acetate 6.94
    1,2,4-trichlorobenzene 13.44
    4-methylpyridine 28.01
    dibutyl ether 2.86
    2,6-dimethyl-4-heptanol 2.22
    DEF 32.11
    dimethyl isosorbide 38.64
    tetrachloroethylene 21.63
    eugenol 19.82
    triacetin 16.79
    span 80 22.0
    1,4-butanediol 7.22
    1,1-dichloroethane 9.71
    2-methyl-1-pentanol 6.89
    methyl formate 23.91
    2-methyl-1-butanol 9.13
    n-decane 0.22
    butyronitrile 5.2
    3,7-dimethyl-1-octanol 3.67
    1-chlorooctane 1.49
    1-chlorotetradecane 0.34
    n-nonane 0.18
    undecane 0.12
    tert-butylcyclohexane 0.39
    cyclooctane 0.32
    cyclopentanol 17.27
    tetrahydropyran 37.47
    tert-amyl methyl ether 8.12
    2,5,8-trioxanonane 30.45
    1-hexene 1.95
    2-isopropoxyethanol 20.7
    2,2,2-trifluoroethanol 9.58
    methyl butyrate 10.39

    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