(2alpha,3beta,4alpha,19beta)-2,3,19,23-Tetrahydroxyolean-12-en-28-oic acid

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  • Identifiers

    CAS number
    6753-23-7

    Molecular formula
    C30H48O6

    SMILES
    C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4[C@H](C(CC5)(C)C)O)C(=O)O)C)(C[C@H]([C@@H]([C@@]3(C)CO)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 69.6%
    Balsamic 43.71%
    Spicy 40.38%
    Amber 40.04%
    Cedar 37.06%
    Dry 35.63%
    Camphoreous 35.59%
    Herbal 33.77%
    Pine 31.33%
    Cooling 30.97%

     

    Flavor
    Bitter 61.49%
    Woody 37.26%
    Pine 34.46%
    Camphor 32.84%
    Balsam 30.71%
    Herbal 29.73%
    Sweet 29.04%
    Minty 24.62%
    Spicy 24.42%
    Patchouli 23.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    5.51 (weak acid)

    Molecular weight
    504.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    162°C

    Flash point

    • 299.62 ˚C est.

  • Synonyms

    • 6753-23-7
    • RefChem:206339
    • (2alpha,3beta,4alpha,19beta)-2,3,19,23-Tetrahydroxyolean-12-en-28-oic acid
    • SCHEMBL5797955
    • DTXSID201185605
    • 2alpha,3beta,19beta,23-Tetrahydroxyolean-12-en-28-oic acid
    • (2I+/-,3I(2),4I+/-,19I(2))-2,3,19,23-Tetrahydroxyolean-12-en-28-oic acid
    • 6753-23-7

  • Applications

    (2alpha,3beta,4alpha,19beta)-2,3,19,23-Tetrahydroxyolean-12-en-28-oic acid (CAS 6753-23-7) is a polyhydroxylated oleanane-type carboxylic acid that is typically used as a chiral building block and synthetic intermediate in the preparation of more complex natural-product derivatives. In pharmaceutical research, it serves as a starting material for semi-synthetic triterpenoid compounds and for exploring structure-activity relationships. In cosmetics and personal care, derivatives of this scaffold are evaluated as functional ingredients or scaffolds for skin-conditioning agents due to multiple hydroxyl groups enabling functionalization. In agrochemical research, it is studied as a scaffold for synthesis of triterpenoid-like lead compounds. In polymers and plastics, it can function as a biobased feedstock modifier or handle for introducing polarity into polymer systems. In general industrial manufacturing, it is used as an intermediate for the preparation of specialty chemicals and for further chemical transformations under appropriate regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.43
    methanol 28.47
    isopropanol 3.84
    water 0.01
    ethyl acetate 2.26
    n-propanol 7.83
    acetone 5.01
    n-butanol 3.48
    acetonitrile 0.97
    DMF 67.4
    toluene 1.38
    isobutanol 2.67
    1,4-dioxane 27.24
    methyl acetate 2.42
    THF 65.9
    2-butanone 4.29
    n-pentanol 2.69
    sec-butanol 1.66
    n-hexane 0.08
    ethylene glycol 2.74
    NMP 29.3
    cyclohexane 0.09
    DMSO 29.29
    n-butyl acetate 1.89
    n-octanol 1.37
    chloroform 4.31
    n-propyl acetate 1.44
    acetic acid 8.08
    dichloromethane 2.7
    cyclohexanone 6.91
    propylene glycol 5.0
    isopropyl acetate 1.93
    DMAc 28.38
    2-ethoxyethanol 18.74
    isopentanol 1.79
    n-heptane 0.07
    ethyl formate 2.21
    1,2-dichloroethane 1.9
    n-hexanol 2.73
    2-methoxyethanol 46.11
    isobutyl acetate 1.05
    tetrachloromethane 0.57
    n-pentyl acetate 3.24
    transcutol 20.12
    n-heptanol 2.68
    ethylbenzene 0.68
    MIBK 2.16
    2-propoxyethanol 30.8
    tert-butanol 2.08
    MTBE 1.59
    2-butoxyethanol 15.38
    propionic acid 3.0
    o-xylene 0.79
    formic acid 7.79
    diethyl ether 2.63
    m-xylene 0.97
    p-xylene 0.69
    chlorobenzene 1.05
    dimethyl carbonate 4.34
    n-octane 0.04
    formamide 8.73
    cyclopentanone 16.82
    2-pentanone 3.32
    anisole 2.96
    cyclopentyl methyl ether 6.83
    gamma-butyrolactone 15.65
    1-methoxy-2-propanol 28.37
    pyridine 11.37
    3-pentanone 2.18
    furfural 12.48
    n-dodecane 0.02
    diethylene glycol 21.46
    diisopropyl ether 0.47
    tert-amyl alcohol 1.36
    acetylacetone 5.55
    n-hexadecane 0.02
    acetophenone 2.98
    methyl propionate 3.95
    isopentyl acetate 1.82
    trichloroethylene 5.14
    n-nonanol 1.5
    cyclohexanol 1.49
    benzyl alcohol 4.41
    2-ethylhexanol 0.89
    isooctanol 1.78
    dipropyl ether 1.71
    1,2-dichlorobenzene 0.97
    ethyl lactate 2.22
    propylene carbonate 3.92
    n-methylformamide 18.69
    2-pentanol 1.09
    n-pentane 0.07
    1-propoxy-2-propanol 12.43
    1-methoxy-2-propyl acetate 7.0
    2-(2-methoxypropoxy) propanol 6.77
    mesitylene 0.52
    ε-caprolactone 6.41
    p-cymene 0.45
    epichlorohydrin 19.34
    1,1,1-trichloroethane 0.98
    2-aminoethanol 10.17
    morpholine-4-carbaldehyde 53.53
    sulfolane 21.43
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 7.88
    n-hexyl acetate 3.18
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 12.55
    sec-butyl acetate 0.91
    tert-butyl acetate 2.41
    decalin 0.07
    glycerin 11.17
    diglyme 22.59
    acrylic acid 3.96
    isopropyl myristate 0.65
    n-butyric acid 3.9
    acetyl acetate 1.68
    di(2-ethylhexyl) phthalate 1.73
    ethyl propionate 1.38
    nitromethane 10.7
    1,2-diethoxyethane 4.21
    benzonitrile 1.71
    trioctyl phosphate 1.12
    1-bromopropane 0.74
    gamma-valerolactone 41.51
    n-decanol 0.71
    triethyl phosphate 0.97
    4-methyl-2-pentanol 0.78
    propionitrile 1.22
    vinylene carbonate 4.69
    1,1,2-trichlorotrifluoroethane 16.7
    DMS 3.06
    cumene 0.47
    2-octanol 0.98
    2-hexanone 2.09
    octyl acetate 1.2
    limonene 0.52
    1,2-dimethoxyethane 20.44
    ethyl orthosilicate 1.05
    tributyl phosphate 0.83
    diacetone alcohol 5.26
    N,N-dimethylaniline 2.5
    acrylonitrile 2.26
    aniline 2.68
    1,3-propanediol 12.5
    bromobenzene 0.83
    dibromomethane 1.46
    1,1,2,2-tetrachloroethane 4.09
    2-methyl-cyclohexyl acetate 1.61
    tetrabutyl urea 1.48
    diisobutyl methanol 0.56
    2-phenylethanol 4.6
    styrene 0.71
    dioctyl adipate 1.44
    dimethyl sulfate 7.37
    ethyl butyrate 1.29
    methyl lactate 6.11
    butyl lactate 4.34
    diethyl carbonate 0.77
    propanediol butyl ether 12.35
    triethyl orthoformate 1.66
    p-tert-butyltoluene 0.51
    methyl 4-tert-butylbenzoate 5.23
    morpholine 40.18
    tert-butylamine 0.61
    n-dodecanol 0.34
    dimethoxymethane 43.36
    ethylene carbonate 3.35
    cyrene 10.46
    2-ethoxyethyl acetate 7.33
    2-ethylhexyl acetate 1.28
    1,2,4-trichlorobenzene 1.65
    4-methylpyridine 5.45
    dibutyl ether 0.68
    2,6-dimethyl-4-heptanol 0.56
    DEF 5.81
    dimethyl isosorbide 12.43
    tetrachloroethylene 3.44
    eugenol 6.58
    triacetin 3.82
    span 80 6.52
    1,4-butanediol 3.73
    1,1-dichloroethane 1.08
    2-methyl-1-pentanol 1.39
    methyl formate 10.39
    2-methyl-1-butanol 1.67
    n-decane 0.05
    butyronitrile 1.17
    3,7-dimethyl-1-octanol 0.9
    1-chlorooctane 0.31
    1-chlorotetradecane 0.07
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.06
    cyclooctane 0.05
    cyclopentanol 3.56
    tetrahydropyran 7.89
    tert-amyl methyl ether 1.2
    2,5,8-trioxanonane 11.28
    1-hexene 0.33
    2-isopropoxyethanol 7.59
    2,2,2-trifluoroethanol 2.23
    methyl butyrate 1.81

    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