4-O-methylgallic acid

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  • Identifiers

    CAS number
    4319-02-2

    Molecular formula
    C8H8O5

    SMILES
    COC1=C(C=C(C=C1O)C(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 66.84%
    Phenolic 50.25%
    Balsamic 34.35%
    Vanilla 32.62%
    Burnt 27.1%
    Milky 26.3%
    Smoky 24.02%
    Creamy 23.28%
    Spicy 20.79%
    Dairy 20.77%

     

    Flavor
    Phenolic 44.59%
    Odorless 43.84%
    Mild 39.21%
    Bitter 29.38%
    Faint 27.04%
    Creamy 26.23%
    Sweet 25.71%
    Bland 25.47%
    Very mild 24.76%
    Powdery 23.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    8.02 (weak base)

    Molecular weight
    184.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    378°C

    Flash point

    • 181.89 ˚C est.

  • Synonyms

    • 3,5-Dihydroxy-4-methoxybenzoic acid
    • 4319-02-2
    • 4-O-Methylgallic acid
    • Benzoic acid, 3,5-dihydroxy-4-methoxy-
    • 0XW32QVU6J
    • DTXSID8063412
    • RefChem:91534
    • DTXCID1040245
    • 224-346-9
    • 5-Hydroxyisovanillic acid
    • 4-Methoxy-3,5-dihydroxybenzoic acid
    • 3,5-Dihydroxy-4-methoxy-benzoic acid
    • 3,5-Dihydroxy-p-anisic acid
    • 3,5-DIHYDROXY-4-METHOXYBENZOICACID
    • MFCD00016521
    • 4-O-methyl-gallate
    • 4-OMGA
    • UNII-0XW32QVU6J
    • SCHEMBL793706
    • CHEMBL118992
    • orb2893713
    • CHEBI:88738
    • 3,5-Dihydroxy-4-methoxybenzoate
    • 4-Methoxy-3,5-dihydroxybenzoate
    • 3,5-Dihydroxy-4-methoxy-benzoate
    • GALLIC ACID 4-METHYL ETHER
    • EINECS 224-346-9
    • AKOS006280824
    • AS-0234
    • FD70158
    • PD128849
    • DB-347844
    • .ALPHA.-RESORCYLIC ACID, 4-METHOXY-
    • CS-0181941
    • NS00045129
    • E82260
    • F624271
    • Q27160668
    • 4319-02-2

  • Applications

    4-O-methylgallic acid (CAS 4319-02-2) is primarily used as an intermediate and building block in organic synthesis. In industrial manufacturing it serves as a precursor for the preparation of polyphenolic derivatives, antioxidants and stabilizers for polymers and coatings. It is also employed as a starting material in fragrance and flavor chemistry, providing phenolic scaffolds for scent and taste-related compounds. In cosmetics and personal care, it may be used as an intermediate for antioxidant or preservative components within formulation constraints. In pharmaceutical research, it is considered a synthetic scaffold for the development of more complex phenolic compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 134.62
    methanol 187.32
    isopropanol 73.14
    water 9.25
    ethyl acetate 16.87
    n-propanol 70.28
    acetone 32.72
    n-butanol 39.94
    acetonitrile 6.35
    DMF 337.18
    toluene 1.4
    isobutanol 27.63
    1,4-dioxane 30.02
    methyl acetate 20.34
    THF 152.36
    2-butanone 26.67
    n-pentanol 21.8
    sec-butanol 50.42
    n-hexane 0.69
    ethylene glycol 129.04
    NMP 167.31
    cyclohexane 0.54
    DMSO 665.27
    n-butyl acetate 10.05
    n-octanol 10.92
    chloroform 1.1
    n-propyl acetate 9.25
    acetic acid 33.68
    dichloromethane 2.66
    cyclohexanone 12.68
    propylene glycol 75.28
    isopropyl acetate 10.59
    DMAc 191.89
    2-ethoxyethanol 142.31
    isopentanol 28.19
    n-heptane 1.35
    ethyl formate 13.87
    1,2-dichloroethane 5.72
    n-hexanol 20.91
    2-methoxyethanol 293.25
    isobutyl acetate 2.08
    tetrachloromethane 0.98
    n-pentyl acetate 7.38
    transcutol 117.87
    n-heptanol 12.6
    ethylbenzene 1.56
    MIBK 14.94
    2-propoxyethanol 84.31
    tert-butanol 107.84
    MTBE 31.12
    2-butoxyethanol 32.92
    propionic acid 26.1
    o-xylene 2.55
    formic acid 129.04
    diethyl ether 31.36
    m-xylene 2.01
    p-xylene 1.06
    chlorobenzene 0.81
    dimethyl carbonate 26.31
    n-octane 0.5
    formamide 269.65
    cyclopentanone 37.91
    2-pentanone 25.75
    anisole 12.97
    cyclopentyl methyl ether 35.97
    gamma-butyrolactone 51.55
    1-methoxy-2-propanol 190.72
    pyridine 10.18
    3-pentanone 16.22
    furfural 40.6
    n-dodecane 0.34
    diethylene glycol 114.3
    diisopropyl ether 8.0
    tert-amyl alcohol 72.14
    acetylacetone 23.48
    n-hexadecane 0.37
    acetophenone 11.67
    methyl propionate 29.28
    isopentyl acetate 7.85
    trichloroethylene 4.5
    n-nonanol 9.83
    cyclohexanol 14.99
    benzyl alcohol 11.65
    2-ethylhexanol 9.12
    isooctanol 8.7
    dipropyl ether 13.51
    1,2-dichlorobenzene 1.51
    ethyl lactate 19.09
    propylene carbonate 14.85
    n-methylformamide 153.06
    2-pentanol 31.51
    n-pentane 1.44
    1-propoxy-2-propanol 50.67
    1-methoxy-2-propyl acetate 24.83
    2-(2-methoxypropoxy) propanol 36.61
    mesitylene 1.75
    ε-caprolactone 17.7
    p-cymene 2.67
    epichlorohydrin 53.65
    1,1,1-trichloroethane 1.43
    2-aminoethanol 150.17
    morpholine-4-carbaldehyde 107.09
    sulfolane 128.66
    2,2,4-trimethylpentane 0.93
    2-methyltetrahydrofuran 50.41
    n-hexyl acetate 10.82
    isooctane 0.63
    2-(2-butoxyethoxy)ethanol 45.07
    sec-butyl acetate 5.68
    tert-butyl acetate 20.86
    decalin 0.51
    glycerin 144.95
    diglyme 88.35
    acrylic acid 27.39
    isopropyl myristate 4.78
    n-butyric acid 18.03
    acetyl acetate 6.17
    di(2-ethylhexyl) phthalate 5.84
    ethyl propionate 12.57
    nitromethane 66.94
    1,2-diethoxyethane 19.35
    benzonitrile 3.13
    trioctyl phosphate 5.37
    1-bromopropane 3.2
    gamma-valerolactone 48.95
    n-decanol 6.93
    triethyl phosphate 9.02
    4-methyl-2-pentanol 15.12
    propionitrile 6.79
    vinylene carbonate 9.04
    1,1,2-trichlorotrifluoroethane 50.28
    DMS 10.42
    cumene 1.58
    2-octanol 7.83
    2-hexanone 9.73
    octyl acetate 6.84
    limonene 4.27
    1,2-dimethoxyethane 111.44
    ethyl orthosilicate 7.91
    tributyl phosphate 5.29
    diacetone alcohol 56.52
    N,N-dimethylaniline 13.98
    acrylonitrile 10.73
    aniline 7.05
    1,3-propanediol 121.46
    bromobenzene 0.53
    dibromomethane 1.65
    1,1,2,2-tetrachloroethane 5.29
    2-methyl-cyclohexyl acetate 7.87
    tetrabutyl urea 9.76
    diisobutyl methanol 7.02
    2-phenylethanol 11.84
    styrene 1.36
    dioctyl adipate 8.07
    dimethyl sulfate 63.53
    ethyl butyrate 10.69
    methyl lactate 45.17
    butyl lactate 11.61
    diethyl carbonate 7.96
    propanediol butyl ether 30.69
    triethyl orthoformate 10.34
    p-tert-butyltoluene 3.08
    methyl 4-tert-butylbenzoate 20.58
    morpholine 68.28
    tert-butylamine 36.64
    n-dodecanol 4.61
    dimethoxymethane 182.79
    ethylene carbonate 7.05
    cyrene 39.0
    2-ethoxyethyl acetate 14.2
    2-ethylhexyl acetate 5.4
    1,2,4-trichlorobenzene 2.24
    4-methylpyridine 8.44
    dibutyl ether 6.5
    2,6-dimethyl-4-heptanol 7.02
    DEF 50.9
    dimethyl isosorbide 56.83
    tetrachloroethylene 5.74
    eugenol 20.4
    triacetin 13.63
    span 80 20.32
    1,4-butanediol 41.69
    1,1-dichloroethane 1.63
    2-methyl-1-pentanol 14.94
    methyl formate 72.62
    2-methyl-1-butanol 27.3
    n-decane 0.67
    butyronitrile 5.95
    3,7-dimethyl-1-octanol 8.74
    1-chlorooctane 2.57
    1-chlorotetradecane 0.91
    n-nonane 0.65
    undecane 0.48
    tert-butylcyclohexane 0.59
    cyclooctane 0.43
    cyclopentanol 28.54
    tetrahydropyran 16.62
    tert-amyl methyl ether 33.71
    2,5,8-trioxanonane 63.73
    1-hexene 2.2
    2-isopropoxyethanol 57.29
    2,2,2-trifluoroethanol 23.84
    methyl butyrate 14.81

    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