3-O-Methylgallic acid

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  • Identifiers

    CAS number
    3934-84-7

    Molecular formula
    C8H8O5

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 65.13%
    Phenolic 53.89%
    Balsamic 40.38%
    Vanilla 39.2%
    Burnt 30.19%
    Milky 28.39%
    Smoky 26.8%
    Creamy 25.41%
    Spicy 22.2%
    Dairy 21.74%

     

    Flavor
    Phenolic 44.95%
    Sweet 44.16%
    Odorless 41.78%
    Mild 40.04%
    Vanilla 33.18%
    Creamy 32.49%
    Faint 29.7%
    Powdery 29.24%
    Bitter 27.17%
    Balsamic 26.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    8.05 (weak base)

    Molecular weight
    184.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    412°C

    Flash point

    • 181.08 ˚C est.

  • Synonyms

    • 3934-84-7
    • 3-O-Methylgallic acid
    • gallic acid 3-methyl ether
    • 8JA4OZ7166
    • Benzoic acid, 3,4-dihydroxy-5-methoxy-
    • CHEBI:28647
    • DTXSID10192561
    • RefChem:911576
    • DTXCID50115052
    • 3,4-dihydroxy-5-methoxybenzoic acid
    • 3,4-Dihydroxy-5-methoxy-benzoic acid
    • 5-hydroxyvanillic acid
    • 4,5-Dihydroxy-m-anisic acid
    • MFCD00016518
    • CHEMBL5283256
    • 3-Methoxy-4,5-Bis(Oxidanyl)benzoic Acid
    • UNII-8JA4OZ7166
    • 3,4-Dihydroxy-5-methoxy-benzoic acid; 4,5-Dihydroxy-m-anisic acid; Gallic acid 3-methyl ether; 5-Hydroxyvanillic acid; 3-Methoxygallic acid
    • EINECS 223-512-8
    • 3-methoxy-4,5-dihydroxybenzoic acid
    • 4,5-dihydroxy-3-methoxybenzoic acid
    • 3,4-Dihydroxy-5-methoxy-benzoicacid
    • 3-O-methyl gallic acid
    • 5-methoxyprotocatechuic acid
    • SCHEMBL561936
    • SCHEMBL975675
    • gallic acid 3-monomethyl ether
    • orb1297507
    • SCHEMBL30615314
    • HY-N2009
    • BDBM50610876
    • GEO-01103
    • AKOS005256836
    • AC-6626
    • DS-4064
    • EBC-615430
    • FD70441
    • PROTOCATECHUIC ACID, 5-METHOXY-
    • PD158077
    • SY101288
    • DB-069798
    • CS-0018329
    • NS00030568
    • C05616
    • 3,4-Dihydroxy-5-methoxybenzoic acid, AldrichCPR
    • F013529
    • Q27103809
    • 7WR
    • 3934-84-7

  • Applications

    3-O-Methylgallic acid, CAS 3934-84-7, is the methyl ester of gallic acid. In industrial practice, it is used as an intermediate in organic synthesis to access related chemicals for applications in pharmaceuticals, dyes, and coating materials. It also serves as an antioxidant/stabilizer in cosmetic and personal care formulations, helping to retard oxidation. Additionally, it is used as a starting material or precursor in the preparation of coatings and inks, and in polymer formulations as a stabilizer or antioxidant additive. Depending on local regulations and formulation limits, use may be restricted.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 93.19
    methanol 159.84
    isopropanol 37.68
    water 6.05
    ethyl acetate 6.44
    n-propanol 38.93
    acetone 58.95
    n-butanol 22.88
    acetonitrile 21.77
    DMF 210.13
    toluene 3.36
    isobutanol 15.49
    1,4-dioxane 44.65
    methyl acetate 18.08
    THF 110.73
    2-butanone 24.27
    n-pentanol 16.83
    sec-butanol 19.76
    n-hexane 0.91
    ethylene glycol 90.05
    NMP 122.16
    cyclohexane 1.52
    DMSO 470.55
    n-butyl acetate 4.62
    n-octanol 13.84
    chloroform 1.98
    n-propyl acetate 4.82
    acetic acid 22.91
    dichloromethane 8.2
    cyclohexanone 17.96
    propylene glycol 38.03
    isopropyl acetate 3.97
    DMAc 171.27
    2-ethoxyethanol 77.59
    isopentanol 14.33
    n-heptane 2.85
    ethyl formate 11.2
    1,2-dichloroethane 11.46
    n-hexanol 12.09
    2-methoxyethanol 133.47
    isobutyl acetate 1.64
    tetrachloromethane 0.91
    n-pentyl acetate 6.1
    transcutol 41.63
    n-heptanol 14.71
    ethylbenzene 3.71
    MIBK 6.33
    2-propoxyethanol 39.13
    tert-butanol 44.49
    MTBE 13.36
    2-butoxyethanol 29.39
    propionic acid 13.02
    o-xylene 5.72
    formic acid 84.37
    diethyl ether 13.57
    m-xylene 4.11
    p-xylene 3.85
    chlorobenzene 2.15
    dimethyl carbonate 12.74
    n-octane 1.61
    formamide 179.9
    cyclopentanone 40.77
    2-pentanone 12.45
    anisole 11.68
    cyclopentyl methyl ether 16.54
    gamma-butyrolactone 41.27
    1-methoxy-2-propanol 57.42
    pyridine 21.44
    3-pentanone 9.79
    furfural 33.62
    n-dodecane 1.26
    diethylene glycol 60.56
    diisopropyl ether 2.95
    tert-amyl alcohol 26.97
    acetylacetone 14.24
    n-hexadecane 1.36
    acetophenone 11.25
    methyl propionate 13.13
    isopentyl acetate 3.79
    trichloroethylene 8.62
    n-nonanol 13.18
    cyclohexanol 12.69
    benzyl alcohol 14.94
    2-ethylhexanol 6.6
    isooctanol 10.49
    dipropyl ether 9.47
    1,2-dichlorobenzene 2.86
    ethyl lactate 8.42
    propylene carbonate 9.41
    n-methylformamide 96.22
    2-pentanol 10.76
    n-pentane 1.31
    1-propoxy-2-propanol 19.65
    1-methoxy-2-propyl acetate 9.58
    2-(2-methoxypropoxy) propanol 24.54
    mesitylene 3.04
    ε-caprolactone 14.82
    p-cymene 3.96
    epichlorohydrin 48.27
    1,1,1-trichloroethane 2.22
    2-aminoethanol 85.68
    morpholine-4-carbaldehyde 81.46
    sulfolane 79.23
    2,2,4-trimethylpentane 0.63
    2-methyltetrahydrofuran 32.31
    n-hexyl acetate 8.84
    isooctane 0.45
    2-(2-butoxyethoxy)ethanol 32.76
    sec-butyl acetate 2.37
    tert-butyl acetate 6.56
    decalin 0.87
    glycerin 68.07
    diglyme 52.14
    acrylic acid 14.83
    isopropyl myristate 4.94
    n-butyric acid 7.93
    acetyl acetate 3.61
    di(2-ethylhexyl) phthalate 6.6
    ethyl propionate 5.19
    nitromethane 62.91
    1,2-diethoxyethane 11.84
    benzonitrile 6.67
    trioctyl phosphate 6.43
    1-bromopropane 5.44
    gamma-valerolactone 49.01
    n-decanol 10.7
    triethyl phosphate 5.3
    4-methyl-2-pentanol 5.9
    propionitrile 10.75
    vinylene carbonate 8.03
    1,1,2-trichlorotrifluoroethane 34.74
    DMS 6.53
    cumene 2.95
    2-octanol 8.56
    2-hexanone 7.39
    octyl acetate 7.9
    limonene 5.01
    1,2-dimethoxyethane 67.38
    ethyl orthosilicate 5.24
    tributyl phosphate 4.25
    diacetone alcohol 20.56
    N,N-dimethylaniline 13.94
    acrylonitrile 19.15
    aniline 9.11
    1,3-propanediol 63.1
    bromobenzene 1.73
    dibromomethane 4.39
    1,1,2,2-tetrachloroethane 8.18
    2-methyl-cyclohexyl acetate 5.46
    tetrabutyl urea 10.75
    diisobutyl methanol 4.96
    2-phenylethanol 11.51
    styrene 3.24
    dioctyl adipate 7.99
    dimethyl sulfate 28.65
    ethyl butyrate 4.99
    methyl lactate 18.75
    butyl lactate 6.73
    diethyl carbonate 3.86
    propanediol butyl ether 20.99
    triethyl orthoformate 5.5
    p-tert-butyltoluene 3.89
    methyl 4-tert-butylbenzoate 18.28
    morpholine 60.31
    tert-butylamine 17.39
    n-dodecanol 8.36
    dimethoxymethane 85.56
    ethylene carbonate 6.2
    cyrene 33.47
    2-ethoxyethyl acetate 10.47
    2-ethylhexyl acetate 3.05
    1,2,4-trichlorobenzene 3.93
    4-methylpyridine 14.55
    dibutyl ether 6.42
    2,6-dimethyl-4-heptanol 4.96
    DEF 28.42
    dimethyl isosorbide 34.09
    tetrachloroethylene 6.41
    eugenol 18.8
    triacetin 9.68
    span 80 17.62
    1,4-butanediol 36.85
    1,1-dichloroethane 3.56
    2-methyl-1-pentanol 9.99
    methyl formate 57.92
    2-methyl-1-butanol 13.25
    n-decane 1.96
    butyronitrile 8.46
    3,7-dimethyl-1-octanol 7.94
    1-chlorooctane 4.5
    1-chlorotetradecane 2.39
    n-nonane 1.83
    undecane 1.55
    tert-butylcyclohexane 0.63
    cyclooctane 1.11
    cyclopentanol 22.17
    tetrahydropyran 19.21
    tert-amyl methyl ether 12.19
    2,5,8-trioxanonane 45.73
    1-hexene 2.71
    2-isopropoxyethanol 32.43
    2,2,2-trifluoroethanol 15.36
    methyl butyrate 7.23

    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