Arjunolic Acid

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  • Identifiers

    CAS number
    465-00-9

    Molecular formula
    C30H48O5

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 78.97%
    Amber 51.59%
    Balsamic 45.08%
    Dry 44.85%
    Cedar 44.69%
    Sandalwood 38.15%
    Spicy 37.69%
    Musk 35.26%
    Camphoreous 32.14%
    Pine 28.73%

     

    Flavor
    Woody 53.4%
    Bitter 42.44%
    Pine 40.54%
    Camphor 39.7%
    Balsam 38.63%
    Sweet 36.49%
    Herbal 35.37%
    Spicy 30.43%
    Earthy 30.16%
    Earth 26.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    5.89 (weak acid)

    Molecular weight
    488.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    143°C

    Flash point

    • 293.67 ˚C est.

  • Synonyms

    • Arjunolic acid
    • 465-00-9
    • (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • DTXSID80963583
    • 8N8Q74HVN3
    • CHEBI:68381
    • 2,3,23-Trihydroxyolean-12-en-28-oic acid
    • RefChem:114091
    • DTXCID401391327
    • (2alpha,3beta,4alpha)-2,3,23-Trihydroxy-olean-12-en-28-oic acid
    • CHEMBL464466
    • 2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid
    • Arjunolsaure
    • (2alpha,3beta,4alpha)-2,3,23-trihydroxyolean-12-en-28-oic acid
    • Olean-12-en-28-oic acid, 2,3,23-trihydroxy-, (2alpha,3beta,4alpha)-
    • MFCD11113458
    • SCHEMBL565233
    • HMS6019M07
    • HY-N2896
    • MSK40236
    • BDBM50250899
    • AKOS032962083
    • FA35178
    • (4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
    • Arjunolic acid, >=95% (LC/MS-ELSD)
    • CS-0023481
    • 2,3,23-trihydroxy-olean-12-en-28-oic acid
    • E88720
    • 465A009
    • 2alpha,3beta,24-trihydroxyolean-12-en-28-oic acid
    • 2alpha,3beta-24-trihydroxyolean-12-en-28-oic acid
    • 2alpha,3beta,24-trihydroxy-olean-12-en-28-oic acid
    • Q27136879
    • (2alpha,3beta)-2,3,23-trihydroxyolean-12-en-28-oic acid
    • 2,3,23-Trihydroxyolean-12-en-28-oic acid, (2alpha,3beta,4alpha)-
    • Olean-12-en-28-oic acid, 2,3,23-trihydroxy-, (2.alpha.,3.beta.,4.alpha.)-
    • (2,3,4)-2,3,23-Trihydroxyolean-12-en-28-oic acid; 2,3,23-Trihydroxyolean-12-en-28-oic acid; Urjinolic acid
    • 465-00-9

  • Applications

    Arjunolic acid (CAS 465-00-9) is a pentacyclic triterpenoid that is mainly used as a chemical intermediate and a source for the synthesis of triterpenoid derivatives. In cosmetics/personal care, it is commonly evaluated as a natural antioxidant and as a precursor for derivative synthesis in skincare formulations. In pharmaceutical and biomedical research, it serves as a building block for semi-synthetic triterpenoids and as a scaffold for exploring structure-activity relationships, without implying therapeutic claims. In industrial manufacturing, it is used as a starting material for the synthesis of related compounds. In polymers, coatings, and inks, it may be studied as an antioxidant additive or stabilizer to improve aging resistance. In agriculture, it is investigated for potential agrochemical applications as a natural product-derived lead compound.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.42
    methanol 19.43
    isopropanol 5.85
    water 0.01
    ethyl acetate 3.21
    n-propanol 12.19
    acetone 5.39
    n-butanol 6.39
    acetonitrile 1.11
    DMF 76.23
    toluene 2.52
    isobutanol 4.82
    1,4-dioxane 31.53
    methyl acetate 3.15
    THF 79.01
    2-butanone 6.2
    n-pentanol 4.67
    sec-butanol 3.05
    n-hexane 0.13
    ethylene glycol 1.87
    NMP 33.6
    cyclohexane 0.13
    DMSO 22.75
    n-butyl acetate 3.08
    n-octanol 2.02
    chloroform 7.55
    n-propyl acetate 2.16
    acetic acid 6.39
    dichloromethane 4.33
    cyclohexanone 9.57
    propylene glycol 4.79
    isopropyl acetate 2.8
    DMAc 33.23
    2-ethoxyethanol 20.38
    isopentanol 3.43
    n-heptane 0.11
    ethyl formate 2.54
    1,2-dichloroethane 2.89
    n-hexanol 5.11
    2-methoxyethanol 45.39
    isobutyl acetate 1.75
    tetrachloromethane 0.87
    n-pentyl acetate 5.08
    transcutol 27.42
    n-heptanol 4.3
    ethylbenzene 1.21
    MIBK 3.44
    2-propoxyethanol 40.84
    tert-butanol 3.12
    MTBE 2.63
    2-butoxyethanol 20.26
    propionic acid 3.68
    o-xylene 1.39
    formic acid 4.97
    diethyl ether 4.2
    m-xylene 1.79
    p-xylene 1.15
    chlorobenzene 1.92
    dimethyl carbonate 4.72
    n-octane 0.06
    formamide 6.1
    cyclopentanone 21.1
    2-pentanone 5.1
    anisole 4.42
    cyclopentyl methyl ether 10.31
    gamma-butyrolactone 17.81
    1-methoxy-2-propanol 36.66
    pyridine 15.01
    3-pentanone 3.39
    furfural 13.86
    n-dodecane 0.02
    diethylene glycol 21.68
    diisopropyl ether 0.8
    tert-amyl alcohol 2.27
    acetylacetone 6.83
    n-hexadecane 0.03
    acetophenone 4.23
    methyl propionate 5.45
    isopentyl acetate 3.19
    trichloroethylene 8.02
    n-nonanol 2.21
    cyclohexanol 2.66
    benzyl alcohol 6.26
    2-ethylhexanol 1.68
    isooctanol 2.96
    dipropyl ether 2.79
    1,2-dichlorobenzene 1.74
    ethyl lactate 2.88
    propylene carbonate 4.98
    n-methylformamide 17.38
    2-pentanol 2.12
    n-pentane 0.13
    1-propoxy-2-propanol 19.2
    1-methoxy-2-propyl acetate 10.52
    2-(2-methoxypropoxy) propanol 9.65
    mesitylene 0.9
    ε-caprolactone 8.64
    p-cymene 0.83
    epichlorohydrin 24.03
    1,1,1-trichloroethane 1.63
    2-aminoethanol 9.1
    morpholine-4-carbaldehyde 56.02
    sulfolane 23.23
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 11.63
    n-hexyl acetate 4.85
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 16.72
    sec-butyl acetate 1.5
    tert-butyl acetate 3.52
    decalin 0.12
    glycerin 9.55
    diglyme 28.89
    acrylic acid 4.1
    isopropyl myristate 1.01
    n-butyric acid 5.49
    acetyl acetate 2.15
    di(2-ethylhexyl) phthalate 2.59
    ethyl propionate 2.08
    nitromethane 8.92
    1,2-diethoxyethane 5.77
    benzonitrile 2.6
    trioctyl phosphate 1.67
    1-bromopropane 1.36
    gamma-valerolactone 44.76
    n-decanol 1.03
    triethyl phosphate 1.49
    4-methyl-2-pentanol 1.5
    propionitrile 1.82
    vinylene carbonate 5.84
    1,1,2-trichlorotrifluoroethane 18.01
    DMS 4.15
    cumene 0.82
    2-octanol 1.6
    2-hexanone 3.2
    octyl acetate 1.8
    limonene 0.99
    1,2-dimethoxyethane 22.01
    ethyl orthosilicate 1.68
    tributyl phosphate 1.26
    diacetone alcohol 7.27
    N,N-dimethylaniline 3.61
    acrylonitrile 2.92
    aniline 4.35
    1,3-propanediol 12.87
    bromobenzene 1.6
    dibromomethane 2.43
    1,1,2,2-tetrachloroethane 6.81
    2-methyl-cyclohexyl acetate 2.64
    tetrabutyl urea 2.2
    diisobutyl methanol 0.98
    2-phenylethanol 7.02
    styrene 1.22
    dioctyl adipate 2.22
    dimethyl sulfate 8.11
    ethyl butyrate 2.07
    methyl lactate 7.26
    butyl lactate 6.63
    diethyl carbonate 1.18
    propanediol butyl ether 15.58
    triethyl orthoformate 2.65
    p-tert-butyltoluene 0.9
    methyl 4-tert-butylbenzoate 7.51
    morpholine 52.42
    tert-butylamine 1.03
    n-dodecanol 0.48
    dimethoxymethane 48.34
    ethylene carbonate 4.27
    cyrene 12.69
    2-ethoxyethyl acetate 10.2
    2-ethylhexyl acetate 2.34
    1,2,4-trichlorobenzene 2.95
    4-methylpyridine 8.22
    dibutyl ether 1.0
    2,6-dimethyl-4-heptanol 0.98
    DEF 7.98
    dimethyl isosorbide 17.0
    tetrachloroethylene 5.09
    eugenol 9.1
    triacetin 5.29
    span 80 9.17
    1,4-butanediol 3.98
    1,1-dichloroethane 1.93
    2-methyl-1-pentanol 2.51
    methyl formate 8.81
    2-methyl-1-butanol 3.29
    n-decane 0.07
    butyronitrile 1.87
    3,7-dimethyl-1-octanol 1.49
    1-chlorooctane 0.46
    1-chlorotetradecane 0.09
    n-nonane 0.06
    undecane 0.04
    tert-butylcyclohexane 0.11
    cyclooctane 0.08
    cyclopentanol 5.33
    tetrahydropyran 12.03
    tert-amyl methyl ether 2.12
    2,5,8-trioxanonane 14.5
    1-hexene 0.57
    2-isopropoxyethanol 9.58
    2,2,2-trifluoroethanol 2.01
    methyl butyrate 2.7

    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