Bryonolic Acid

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  • Identifiers

    CAS number
    24480-45-3

    Molecular formula
    C30H48O3

    SMILES
    C[C@]12CC[C@](C[C@H]1[C@@]3(CCC4=C([C@]3(CC2)C)CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)(C)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 86.04%
    Amber 61.19%
    Dry 55.65%
    Musk 49.55%
    Cedar 48.64%
    Sandalwood 43.7%
    Balsamic 37.82%
    Vetiver 37.28%
    Animal 34.62%
    Powdery 33.27%

     

    Flavor
    Woody 66.09%
    Camphor 52.26%
    Sweet 47.78%
    Pine 46.12%
    Balsam 40.4%
    Dry 38.52%
    Earthy 37.98%
    Herbal 34.93%
    Earth 30.72%
    Fresh 30.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    7.04 (neutral)

    Molecular weight
    456.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    449°C

    Flash point

    • 257.45 ˚C est.

  • Synonyms

    • Bryonolic acid
    • 24480-45-3
    • J7YR6A878I
    • BIO-ACTIVE BA
    • DTXSID301021375
    • (2S-(2alpha,4aalpha,6aalpha,8abeta,10alpha,12aalpha,14abeta,14balpha))-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-Eicosahydro-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-2-picenecarboxylic acid
    • D:C-Friedoolean-8-en-29-oic acid, 3-hydroxy-, (3beta,20beta)-
    • 3beta-Hydroxy-D-C-friedoolean-8-en-29-oic acid
    • RefChem:917661
    • DTXCID401506419
    • (20R)-3beta-hydroxy-D:C-friedoolean-8-en-29-oic acid
    • (2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid
    • 20-epi-Bryonolic acid
    • (2s,4as,6as,8ar,10s,12as,14as,14br)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene-2-carboxylic acid
    • UNII-J7YR6A878I
    • orb1705922
    • SCHEMBL1404433
    • CHEBI:65846
    • HY-N2965
    • AKOS032948610
    • (2S,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid
    • DA-51440
    • CS-0023599
    • NS00120397
    • E88943
    • D:C-Friedoolean-8-en-29-oic acid, 3beta-hydroxy-
    • Q27134339
    • D:C-FRIEDOOLEAN-8-EN-29-OIC ACID, 3-HYDROXY-, (3.BETA.,20.BETA.)-
    • (2S-(2.ALPHA.,4A.ALPHA.,6A.ALPHA.,8A.BETA.,10.ALPHA.,12A.ALPHA.,14A.BETA.,14B.ALPHA.))-1,2,3,4,4A,5,6,6A,7,8,8A,9,10,11,12,12A,13,14,14A,14B-EICOSAHYDRO-10-HYDROXY-2,4A,6A,9,9,12A,14A-HEPTAMETHYL-2-PICENECARBOXYLIC ACID
    • 2-PICENECARBOXYLIC ACID, 1,2,3,4,4A,5,6,6A,7,8,8A,9,10,11,12,12A,13,14,14A,14B-EICOSAHYDRO-10-HYDROXY-2,4A,6A,9,9,12A,14A-HEPTAMETHYL-, (2S,4AS,6AS,8AR,10S,12AS,14AS,14BR)-
    • 26-NOROLEAN-8-EN-29-OIC ACID, 3-HYDROXY-13-METHYL-, (3.BETA.,13.ALPHA.,14.BETA.,20.BETA.)-
    • 24480-45-3

  • Applications

    Bryonolic Acid (CAS 24480-45-3) is a pentacyclic triterpenoid acid primarily used as a chemical intermediate and starting material for the synthesis of other triterpenoid derivatives in industrial manufacturing and natural product chemistry. In research and development, it is commonly employed as a precursor to generate derivatives for structure-activity studies of this class. When converted to derivatives, Bryonolic Acid can serve as a functional additive in polymer and coating formulations, or as a platform for cosmetic ingredient development after derivatization. It may also be evaluated in agricultural research as a natural product lead for development of bioactive candidates. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.67
    methanol 8.8
    isopropanol 9.53
    water 0.01
    ethyl acetate 4.91
    n-propanol 15.78
    acetone 5.79
    n-butanol 11.66
    acetonitrile 1.61
    DMF 63.63
    toluene 5.77
    isobutanol 8.26
    1,4-dioxane 28.72
    methyl acetate 4.15
    THF 51.45
    2-butanone 8.14
    n-pentanol 7.11
    sec-butanol 5.57
    n-hexane 0.2
    ethylene glycol 1.31
    NMP 24.81
    cyclohexane 0.17
    DMSO 9.68
    n-butyl acetate 5.48
    n-octanol 3.47
    chloroform 17.52
    n-propyl acetate 3.69
    acetic acid 4.77
    dichloromethane 8.14
    cyclohexanone 11.35
    propylene glycol 3.37
    isopropyl acetate 5.67
    DMAc 30.69
    2-ethoxyethanol 17.18
    isopentanol 6.82
    n-heptane 0.21
    ethyl formate 2.49
    1,2-dichloroethane 4.75
    n-hexanol 8.25
    2-methoxyethanol 29.53
    isobutyl acetate 3.87
    tetrachloromethane 2.12
    n-pentyl acetate 8.84
    transcutol 38.21
    n-heptanol 6.86
    ethylbenzene 2.63
    MIBK 5.73
    2-propoxyethanol 47.71
    tert-butanol 5.94
    MTBE 5.14
    2-butoxyethanol 27.56
    propionic acid 4.56
    o-xylene 2.85
    formic acid 2.27
    diethyl ether 6.64
    m-xylene 4.07
    p-xylene 2.67
    chlorobenzene 5.02
    dimethyl carbonate 6.1
    n-octane 0.1
    formamide 3.73
    cyclopentanone 19.04
    2-pentanone 7.53
    anisole 8.76
    cyclopentyl methyl ether 11.77
    gamma-butyrolactone 16.3
    1-methoxy-2-propanol 36.27
    pyridine 18.97
    3-pentanone 5.36
    furfural 15.2
    n-dodecane 0.04
    diethylene glycol 18.57
    diisopropyl ether 1.7
    tert-amyl alcohol 3.97
    acetylacetone 8.7
    n-hexadecane 0.05
    acetophenone 6.88
    methyl propionate 7.5
    isopentyl acetate 6.7
    trichloroethylene 14.54
    n-nonanol 4.06
    cyclohexanol 4.51
    benzyl alcohol 8.8
    2-ethylhexanol 3.15
    isooctanol 5.2
    dipropyl ether 5.19
    1,2-dichlorobenzene 4.7
    ethyl lactate 4.26
    propylene carbonate 6.39
    n-methylformamide 11.45
    2-pentanol 4.49
    n-pentane 0.22
    1-propoxy-2-propanol 29.31
    1-methoxy-2-propyl acetate 17.59
    2-(2-methoxypropoxy) propanol 15.02
    mesitylene 2.05
    ε-caprolactone 10.79
    p-cymene 1.82
    epichlorohydrin 22.76
    1,1,1-trichloroethane 4.41
    2-aminoethanol 6.69
    morpholine-4-carbaldehyde 50.51
    sulfolane 17.6
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 11.9
    n-hexyl acetate 8.69
    isooctane 0.16
    2-(2-butoxyethoxy)ethanol 22.57
    sec-butyl acetate 3.13
    tert-butyl acetate 7.06
    decalin 0.21
    glycerin 6.31
    diglyme 38.66
    acrylic acid 4.34
    isopropyl myristate 2.11
    n-butyric acid 8.19
    acetyl acetate 3.64
    di(2-ethylhexyl) phthalate 4.77
    ethyl propionate 3.78
    nitromethane 7.4
    1,2-diethoxyethane 9.69
    benzonitrile 4.56
    trioctyl phosphate 2.94
    1-bromopropane 2.78
    gamma-valerolactone 43.17
    n-decanol 1.95
    triethyl phosphate 2.96
    4-methyl-2-pentanol 3.27
    propionitrile 3.38
    vinylene carbonate 7.45
    1,1,2-trichlorotrifluoroethane 17.72
    DMS 7.8
    cumene 1.76
    2-octanol 2.96
    2-hexanone 5.11
    octyl acetate 3.3
    limonene 1.82
    1,2-dimethoxyethane 23.35
    ethyl orthosilicate 3.43
    tributyl phosphate 2.33
    diacetone alcohol 10.46
    N,N-dimethylaniline 6.95
    acrylonitrile 4.42
    aniline 8.28
    1,3-propanediol 11.5
    bromobenzene 4.57
    dibromomethane 5.1
    1,1,2,2-tetrachloroethane 12.66
    2-methyl-cyclohexyl acetate 5.02
    tetrabutyl urea 3.78
    diisobutyl methanol 2.13
    2-phenylethanol 12.05
    styrene 2.82
    dioctyl adipate 4.41
    dimethyl sulfate 9.32
    ethyl butyrate 4.03
    methyl lactate 8.27
    butyl lactate 11.06
    diethyl carbonate 2.44
    propanediol butyl ether 17.68
    triethyl orthoformate 5.32
    p-tert-butyltoluene 2.02
    methyl 4-tert-butylbenzoate 14.32
    morpholine 42.81
    tert-butylamine 2.63
    n-dodecanol 0.9
    dimethoxymethane 44.05
    ethylene carbonate 5.76
    cyrene 14.63
    2-ethoxyethyl acetate 16.15
    2-ethylhexyl acetate 4.8
    1,2,4-trichlorobenzene 7.41
    4-methylpyridine 13.95
    dibutyl ether 2.05
    2,6-dimethyl-4-heptanol 2.13
    DEF 10.24
    dimethyl isosorbide 25.87
    tetrachloroethylene 8.88
    eugenol 16.63
    triacetin 9.86
    span 80 12.9
    1,4-butanediol 3.76
    1,1-dichloroethane 4.47
    2-methyl-1-pentanol 4.17
    methyl formate 5.76
    2-methyl-1-butanol 6.24
    n-decane 0.13
    butyronitrile 3.69
    3,7-dimethyl-1-octanol 2.9
    1-chlorooctane 0.89
    1-chlorotetradecane 0.17
    n-nonane 0.11
    undecane 0.06
    tert-butylcyclohexane 0.22
    cyclooctane 0.11
    cyclopentanol 6.34
    tetrahydropyran 14.63
    tert-amyl methyl ether 3.59
    2,5,8-trioxanonane 20.76
    1-hexene 1.02
    2-isopropoxyethanol 11.01
    2,2,2-trifluoroethanol 2.34
    methyl butyrate 4.43

    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