Pomolic Acid

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  • Identifiers

    CAS number
    13849-91-7

    Molecular formula
    C30H48O4

    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@]1(C)O)C)C(=O)O

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  • Odor profile

    Fragrance
    Woody 77.65%
    Balsamic 47.96%
    Amber 47.86%
    Cedar 45.43%
    Dry 43.05%
    Camphoreous 42.45%
    Spicy 41.89%
    Earthy 39.7%
    Herbal 39.42%
    Pine 38.16%

     

    Flavor
    Woody 55.26%
    Camphor 45.81%
    Pine 45.75%
    Balsam 41.44%
    Herbal 40.74%
    Sweet 37.99%
    Earthy 35.01%
    Bitter 32.51%
    Minty 31.8%
    Spicy 30.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    6.33 (neutral)

    Molecular weight
    472.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    170°C

    Flash point

    • 271.44 ˚C est.

  • Synonyms

    • Pomolic acid
    • 13849-91-7
    • Urs-12-en-28-oic acid, 3,19-dihydroxy-, (3beta)-
    • 60HAB1ZK1T
    • (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • RefChem:45968
    • 3beta,19-Dihydroxy-5alpha-urs-12-en-28-oic acid
    • Benthamic acid
    • CHEMBL486986
    • Randialic acid A
    • Urs-12-en-28-oic acid, 3,19-dihydroxy-, (3.beta.)-
    • UNII-60HAB1ZK1T
    • 3beta,19-Dihydroxyurs-12-en-28-oic acid
    • 19alpha-Hydroxyursolic acid
    • 19alpha-hydroxylursolic acid
    • orb1297234
    • SCHEMBL1049001
    • CHEBI:66772
    • DTXSID20930133
    • HY-N6601
    • MSK40238
    • BDBM50241553
    • NSC670661
    • s9562
    • 19.ALPHA.-HYDROXYURSOLIC ACID
    • AKOS032948112
    • EBC-616562
    • NSC-670661
    • (1R,2R,4AS,6AS,6BR,8AR,10S,12AR,12BR,14BS)-1,10-DIHYDROXY-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-4A-CARBOXYLIC ACID
    • DA-66820
    • MS-28755
    • NCI60_024874
    • CS-0034332
    • 3beta,19alpha-dihydroxyl-12-en-28-oic acid
    • 3beta,19alpha-dihydroxy12-en-28-ursolic acid
    • E80683
    • (3beta)-3,19-Dihydroxyurs-12-en-28-oic acid
    • Q27135401
    • URS-12-EN-28-OIC ACID, 3.BETA.,19-DIHYDROXY-
    • 3.BETA.,19.ALPHA.-DIHYDROXY URS-12-EN-28-OIC ACID
    • (1R,2R,4As,6As,6Br,8Ar,10S,12Ar,12Br,14Bs)-1,10-Dihydroxy-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-Octadecahydropicene-4A(2H)-Carboxylic Acid
    • 13849-91-7

  • Applications

    Pomolic acid (CAS 13849-91-7) is a lipophilic pentacyclic triterpenoid carboxylic acid that is primarily used as a building block and intermediate in the synthesis of other triterpenoid derivatives for pharmaceutical and natural product chemistry. It serves as a starting material for derivatization and semi-synthetic routes to bioactive compounds of interest in research and development, and is also explored as a cosmetic ingredient or scaffold for cosmetic actives in personal care formulations. In industrial manufacturing, pomolic acid is utilized as a specialty chemical building block for biobased additives and for derivatization in polymer and coating applications. It is often evaluated for antimicrobial properties and may be considered in agrochemical formulation research. Additionally, it can function as an analytical reference material or standard in natural product analysis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.03
    methanol 14.93
    isopropanol 9.64
    water 0.01
    ethyl acetate 3.6
    n-propanol 16.81
    acetone 5.83
    n-butanol 11.0
    acetonitrile 1.64
    DMF 77.34
    toluene 3.94
    isobutanol 8.29
    1,4-dioxane 31.55
    methyl acetate 3.72
    THF 61.41
    2-butanone 7.89
    n-pentanol 7.47
    sec-butanol 5.09
    n-hexane 0.17
    ethylene glycol 1.54
    NMP 28.77
    cyclohexane 0.18
    DMSO 16.48
    n-butyl acetate 4.31
    n-octanol 3.15
    chloroform 11.52
    n-propyl acetate 3.01
    acetic acid 4.68
    dichloromethane 6.04
    cyclohexanone 11.56
    propylene glycol 3.57
    isopropyl acetate 3.54
    DMAc 32.74
    2-ethoxyethanol 18.0
    isopentanol 5.97
    n-heptane 0.14
    ethyl formate 2.57
    1,2-dichloroethane 3.96
    n-hexanol 7.76
    2-methoxyethanol 32.83
    isobutyl acetate 2.82
    tetrachloromethane 1.53
    n-pentyl acetate 6.89
    transcutol 23.66
    n-heptanol 6.05
    ethylbenzene 2.09
    MIBK 4.32
    2-propoxyethanol 41.36
    tert-butanol 5.31
    MTBE 4.16
    2-butoxyethanol 22.04
    propionic acid 3.96
    o-xylene 2.09
    formic acid 3.0
    diethyl ether 5.49
    m-xylene 2.59
    p-xylene 2.16
    chlorobenzene 3.18
    dimethyl carbonate 4.86
    n-octane 0.07
    formamide 4.37
    cyclopentanone 20.06
    2-pentanone 6.27
    anisole 6.56
    cyclopentyl methyl ether 10.32
    gamma-butyrolactone 15.41
    1-methoxy-2-propanol 31.25
    pyridine 18.35
    3-pentanone 4.48
    furfural 12.44
    n-dodecane 0.03
    diethylene glycol 18.08
    diisopropyl ether 1.14
    tert-amyl alcohol 3.51
    acetylacetone 6.45
    n-hexadecane 0.04
    acetophenone 5.59
    methyl propionate 6.01
    isopentyl acetate 4.76
    trichloroethylene 9.95
    n-nonanol 3.53
    cyclohexanol 4.01
    benzyl alcohol 8.03
    2-ethylhexanol 2.65
    isooctanol 4.27
    dipropyl ether 3.71
    1,2-dichlorobenzene 2.87
    ethyl lactate 3.23
    propylene carbonate 4.86
    n-methylformamide 15.0
    2-pentanol 3.58
    n-pentane 0.18
    1-propoxy-2-propanol 21.94
    1-methoxy-2-propyl acetate 11.59
    2-(2-methoxypropoxy) propanol 11.18
    mesitylene 1.36
    ε-caprolactone 9.67
    p-cymene 1.26
    epichlorohydrin 21.86
    1,1,1-trichloroethane 2.91
    2-aminoethanol 7.71
    morpholine-4-carbaldehyde 49.29
    sulfolane 18.53
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 12.37
    n-hexyl acetate 6.92
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 17.66
    sec-butyl acetate 2.23
    tert-butyl acetate 4.23
    decalin 0.18
    glycerin 6.26
    diglyme 28.07
    acrylic acid 3.81
    isopropyl myristate 1.61
    n-butyric acid 6.36
    acetyl acetate 2.44
    di(2-ethylhexyl) phthalate 3.79
    ethyl propionate 2.82
    nitromethane 7.48
    1,2-diethoxyethane 6.83
    benzonitrile 4.11
    trioctyl phosphate 2.5
    1-bromopropane 2.21
    gamma-valerolactone 39.33
    n-decanol 1.72
    triethyl phosphate 2.07
    4-methyl-2-pentanol 2.4
    propionitrile 3.29
    vinylene carbonate 6.02
    1,1,2-trichlorotrifluoroethane 14.62
    DMS 5.22
    cumene 1.34
    2-octanol 2.52
    2-hexanone 4.79
    octyl acetate 2.73
    limonene 1.33
    1,2-dimethoxyethane 23.63
    ethyl orthosilicate 2.37
    tributyl phosphate 1.92
    diacetone alcohol 7.42
    N,N-dimethylaniline 5.23
    acrylonitrile 4.36
    aniline 6.33
    1,3-propanediol 12.23
    bromobenzene 2.77
    dibromomethane 3.69
    1,1,2,2-tetrachloroethane 9.0
    2-methyl-cyclohexyl acetate 3.89
    tetrabutyl urea 3.41
    diisobutyl methanol 1.47
    2-phenylethanol 9.78
    styrene 2.15
    dioctyl adipate 3.37
    dimethyl sulfate 7.16
    ethyl butyrate 2.91
    methyl lactate 6.45
    butyl lactate 8.1
    diethyl carbonate 1.82
    propanediol butyl ether 14.77
    triethyl orthoformate 3.58
    p-tert-butyltoluene 1.33
    methyl 4-tert-butylbenzoate 9.03
    morpholine 50.61
    tert-butylamine 2.06
    n-dodecanol 0.81
    dimethoxymethane 41.91
    ethylene carbonate 4.63
    cyrene 12.35
    2-ethoxyethyl acetate 11.75
    2-ethylhexyl acetate 3.54
    1,2,4-trichlorobenzene 4.65
    4-methylpyridine 11.68
    dibutyl ether 1.46
    2,6-dimethyl-4-heptanol 1.47
    DEF 9.05
    dimethyl isosorbide 17.77
    tetrachloroethylene 6.5
    eugenol 11.55
    triacetin 6.28
    span 80 9.84
    1,4-butanediol 4.48
    1,1-dichloroethane 3.22
    2-methyl-1-pentanol 4.21
    methyl formate 7.35
    2-methyl-1-butanol 5.73
    n-decane 0.1
    butyronitrile 3.25
    3,7-dimethyl-1-octanol 2.26
    1-chlorooctane 0.69
    1-chlorotetradecane 0.15
    n-nonane 0.08
    undecane 0.05
    tert-butylcyclohexane 0.18
    cyclooctane 0.1
    cyclopentanol 6.77
    tetrahydropyran 15.96
    tert-amyl methyl ether 2.82
    2,5,8-trioxanonane 15.84
    1-hexene 0.91
    2-isopropoxyethanol 10.2
    2,2,2-trifluoroethanol 1.84
    methyl butyrate 3.63

    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