Gomphidic acid

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  • Identifiers

    CAS number
    25328-77-2

    Molecular formula
    C18H12O9

    SMILES
    C1=CC(=CC=C1/C(=C\2/C(=C(C(=O)O2)C3=CC(=C(C(=C3)O)O)O)O)/C(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 72.62%
    Phenolic 40.93%
    Burnt 25.55%
    Balsamic 23.22%
    Savory 18.65%
    Bitter 18.05%
    Spicy 17.81%
    Milky 16.7%
    Vanilla 16.51%
    Smoky 16.44%

     

    Flavor
    Bitter 84.05%
    Odorless 42.91%
    Bland 27.63%
    Very mild 23.31%
    Sweet-like 21.81%
    Mild 21.35%
    Nitrile 20.37%
    Lovage 20.1%
    Cedarleaf 19.92%
    Parsley 19.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    6.17 (neutral)

    Molecular weight
    372.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1036°C

    Flash point

    • 308.99 ˚C est.

  • Synonyms

    • Gomphidic acid
    • Gomphidic-acid
    • KU8BV9A7UC
    • UNII-KU8BV9A7UC
    • 25328-77-2
    • (alphaE)-4-hydroxy-alpha-(3-hydroxy-5-oxo-4-(3,4,5-trihydroxyphenyl)-2(5H)-furanylidene)benzeneacetic acid
    • Benzeneacetic acid, 4-hydroxy-alpha-(3-hydroxy-5-oxo-4-(3,4,5-trihydroxyphenyl)-2(5H)-furanylidene)-, (alphaE)-
    • delta2(5H),alpha-Furanacetic acid, 3-hydroxy-alpha-(p-hydroxyphenyl)-5-oxo-4-(3,4,5-trihydroxyphenyl)-
    • SCHEMBL29600900
    • DTXSID201115408
    • (.ALPHA.E)-4-HYDROXY-.ALPHA.-(3-HYDROXY-5-OXO-4-(3,4,5-TRIHYDROXYPHENYL)-2(5H)-FURANYLIDENE)BENZENEACETIC ACID
    • (2E)-[3-Hydroxy-5-oxo-4-(3,4,5-trihydroxyphenyl)furan-2(5H)-ylidene](4-hydroxyphenyl)acetic acid
    • (I+/-E)-4-Hydroxy-I+/--[3-hydroxy-5-oxo-4-(3,4,5-trihydroxyphenyl)-2(5H)-furanylidene]benzeneacetic acid
    • .DELTA.2(5H),.ALPHA.-FURANACETIC ACID, 3-HYDROXY-.ALPHA.-(P-HYDROXYPHENYL)-5-OXO-4-(3,4,5-TRIHYDROXYPHENYL)-
    • BENZENEACETIC ACID, 4-HYDROXY-.ALPHA.-(3-HYDROXY-5-OXO-4-(3,4,5-TRIHYDROXYPHENYL)-2(5H)-FURANYLIDENE)-, (.ALPHA.E)-
    • 25328-77-2

  • Applications

    Gomphidic acid, CAS 25328-77-2, is primarily used as an organic synthesis intermediate and building block in specialty chemicals; it is evaluated for chelating properties and can act as a stabilizing additive in certain polymer and coating formulations. It may also serve as a processing aid or component in niche cleaning formulations, depending on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.91
    methanol 81.34
    isopropanol 23.98
    water 0.07
    ethyl acetate 11.11
    n-propanol 48.83
    acetone 2.71
    n-butanol 26.44
    acetonitrile 1.08
    DMF 212.96
    toluene 0.33
    isobutanol 10.7
    1,4-dioxane 11.4
    methyl acetate 8.41
    THF 62.62
    2-butanone 17.76
    n-pentanol 6.08
    sec-butanol 29.78
    n-hexane 0.03
    ethylene glycol 46.14
    NMP 124.75
    cyclohexane 0.03
    DMSO 323.62
    n-butyl acetate 2.69
    n-octanol 4.41
    chloroform 0.05
    n-propyl acetate 2.23
    acetic acid 9.59
    dichloromethane 0.06
    cyclohexanone 8.77
    propylene glycol 82.77
    isopropyl acetate 4.91
    DMAc 189.82
    2-ethoxyethanol 88.27
    isopentanol 9.45
    n-heptane 0.07
    ethyl formate 4.67
    1,2-dichloroethane 0.2
    n-hexanol 4.85
    2-methoxyethanol 368.83
    isobutyl acetate 0.3
    tetrachloromethane 0.02
    n-pentyl acetate 2.65
    transcutol 41.11
    n-heptanol 5.41
    ethylbenzene 0.18
    MIBK 3.41
    2-propoxyethanol 75.58
    tert-butanol 15.04
    MTBE 3.83
    2-butoxyethanol 23.06
    propionic acid 17.94
    o-xylene 0.35
    formic acid 32.08
    diethyl ether 7.17
    m-xylene 0.27
    p-xylene 0.1
    chlorobenzene 0.05
    dimethyl carbonate 12.53
    n-octane 0.05
    formamide 73.89
    cyclopentanone 24.17
    2-pentanone 12.42
    anisole 1.53
    cyclopentyl methyl ether 10.27
    gamma-butyrolactone 32.15
    1-methoxy-2-propanol 305.5
    pyridine 5.0
    3-pentanone 8.12
    furfural 13.86
    n-dodecane 0.05
    diethylene glycol 76.67
    diisopropyl ether 0.65
    tert-amyl alcohol 20.6
    acetylacetone 8.23
    n-hexadecane 0.05
    acetophenone 1.83
    methyl propionate 28.88
    isopentyl acetate 1.57
    trichloroethylene 0.3
    n-nonanol 4.34
    cyclohexanol 6.73
    benzyl alcohol 2.77
    2-ethylhexanol 1.54
    isooctanol 2.68
    dipropyl ether 3.8
    1,2-dichlorobenzene 0.07
    ethyl lactate 9.82
    propylene carbonate 4.41
    n-methylformamide 95.04
    2-pentanol 13.17
    n-pentane 0.07
    1-propoxy-2-propanol 40.22
    1-methoxy-2-propyl acetate 13.72
    2-(2-methoxypropoxy) propanol 16.56
    mesitylene 0.14
    ε-caprolactone 13.09
    p-cymene 0.22
    epichlorohydrin 18.39
    1,1,1-trichloroethane 0.04
    2-aminoethanol 103.58
    morpholine-4-carbaldehyde 79.48
    sulfolane 85.67
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 14.67
    n-hexyl acetate 3.9
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 25.26
    sec-butyl acetate 1.27
    tert-butyl acetate 4.85
    decalin 0.02
    glycerin 182.22
    diglyme 34.32
    acrylic acid 15.82
    isopropyl myristate 1.4
    n-butyric acid 17.47
    acetyl acetate 1.42
    di(2-ethylhexyl) phthalate 1.38
    ethyl propionate 5.16
    nitromethane 21.4
    1,2-diethoxyethane 5.74
    benzonitrile 0.49
    trioctyl phosphate 1.62
    1-bromopropane 0.26
    gamma-valerolactone 55.52
    n-decanol 2.82
    triethyl phosphate 1.66
    4-methyl-2-pentanol 3.12
    propionitrile 3.89
    vinylene carbonate 2.98
    1,1,2-trichlorotrifluoroethane 27.76
    DMS 3.14
    cumene 0.1
    2-octanol 3.25
    2-hexanone 2.32
    octyl acetate 2.57
    limonene 0.44
    1,2-dimethoxyethane 44.66
    ethyl orthosilicate 1.49
    tributyl phosphate 1.2
    diacetone alcohol 31.24
    N,N-dimethylaniline 1.37
    acrylonitrile 6.51
    aniline 2.19
    1,3-propanediol 115.22
    bromobenzene 0.03
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.51
    2-methyl-cyclohexyl acetate 1.22
    tetrabutyl urea 3.28
    diisobutyl methanol 1.06
    2-phenylethanol 2.68
    styrene 0.14
    dioctyl adipate 2.23
    dimethyl sulfate 26.48
    ethyl butyrate 3.05
    methyl lactate 64.06
    butyl lactate 6.98
    diethyl carbonate 1.36
    propanediol butyl ether 21.79
    triethyl orthoformate 2.87
    p-tert-butyltoluene 0.25
    methyl 4-tert-butylbenzoate 5.74
    morpholine 54.6
    tert-butylamine 2.73
    n-dodecanol 1.65
    dimethoxymethane 130.23
    ethylene carbonate 2.36
    cyrene 18.67
    2-ethoxyethyl acetate 5.32
    2-ethylhexyl acetate 0.97
    1,2,4-trichlorobenzene 0.15
    4-methylpyridine 2.76
    dibutyl ether 1.74
    2,6-dimethyl-4-heptanol 1.06
    DEF 38.93
    dimethyl isosorbide 16.66
    tetrachloroethylene 0.36
    eugenol 6.6
    triacetin 4.41
    span 80 11.12
    1,4-butanediol 17.05
    1,1-dichloroethane 0.06
    2-methyl-1-pentanol 3.23
    methyl formate 23.89
    2-methyl-1-butanol 12.52
    n-decane 0.1
    butyronitrile 2.61
    3,7-dimethyl-1-octanol 2.02
    1-chlorooctane 0.43
    1-chlorotetradecane 0.14
    n-nonane 0.08
    undecane 0.07
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 12.68
    tetrahydropyran 6.68
    tert-amyl methyl ether 7.16
    2,5,8-trioxanonane 24.91
    1-hexene 0.18
    2-isopropoxyethanol 22.38
    2,2,2-trifluoroethanol 3.68
    methyl butyrate 5.22

    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