2,3-Dihydroxy-4-methoxybenzoic acid

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  • Identifiers

    CAS number
    3934-81-4

    Molecular formula
    C8H8O5

    SMILES
    COC1=C(C(=C(C=C1)C(=O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 61.39%
    Odorless 56.26%
    Vanilla 42.11%
    Balsamic 41.46%
    Burnt 32.66%
    Smoky 32.35%
    Sweet 29.78%
    Spicy 28.49%
    Milky 26.05%
    Creamy 25.85%

     

    Flavor
    Phenolic 50.78%
    Sweet 43.77%
    Odorless 40.84%
    Mild 39.99%
    Vanilla 30.92%
    Creamy 30.33%
    Powdery 29.49%
    Faint 29.41%
    Balsamic 26.07%
    Caramel 25.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.82 (neutral)

    Molecular weight
    184.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    413°C

    Flash point

    • 174.3 ˚C est.

  • Synonyms

    • 2,3-Dihydroxy-4-methoxybenzoic acid
    • 3934-81-4
    • 2,3-Dihydroxy-p-anisic acid
    • EINECS 223-511-2
    • NSC-156949
    • UNII-3630629597
    • DTXSID50192560
    • NSC 156949
    • Benzoic acid, 2,3-dihydroxy-4-methoxy-
    • O-PYROCATECHUIC ACID, 4-METHOXY-
    • RefChem:81752
    • DTXCID90115051
    • 3630629597
    • MFCD00016499
    • 2,3-DIHYDROXY-4-METHOXY BENZOIC ACID
    • NSC156949
    • orb1683821
    • SCHEMBL3189109
    • SCHEMBL29378830
    • HY-N9311
    • 2,3-dihydroxy-4-methoxy-benzoic acid
    • AKOS009277697
    • EBC-617409
    • FD70045
    • FS-8136
    • DB-049404
    • CS-0159219
    • NS00030567
    • F81768
    • Q27231271
    • 3934-81-4

  • Applications

    2,3-Dihydroxy-4-methoxybenzoic acid (CAS 3934-81-4) is a polyphenolic benzoic acid used mainly as an intermediate in the synthesis of more complex phenolic compounds for pharmaceutical and fine-chemical applications. It may serve as a precursor for the preparation of advanced antioxidants and stabilizers for polymers, coatings, and cosmetics, helping to inhibit oxidation and extend material lifetimes. The compound may be employed as a building block in agrochemical and dye chemistry and as a starting point for functionalization and structure-activity studies in chemical research. In addition, it is sometimes encountered as a specialty reagent or analytical standard in laboratory settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 105.61
    methanol 146.51
    isopropanol 58.3
    water 3.37
    ethyl acetate 19.41
    n-propanol 55.75
    acetone 30.21
    n-butanol 35.46
    acetonitrile 5.61
    DMF 246.93
    toluene 1.39
    isobutanol 22.66
    1,4-dioxane 24.67
    methyl acetate 18.62
    THF 156.85
    2-butanone 27.63
    n-pentanol 20.61
    sec-butanol 44.98
    n-hexane 0.83
    ethylene glycol 101.48
    NMP 163.28
    cyclohexane 0.57
    DMSO 698.36
    n-butyl acetate 11.69
    n-octanol 10.52
    chloroform 1.68
    n-propyl acetate 9.28
    acetic acid 26.22
    dichloromethane 3.22
    cyclohexanone 15.13
    propylene glycol 60.16
    isopropyl acetate 12.78
    DMAc 151.04
    2-ethoxyethanol 112.92
    isopentanol 25.16
    n-heptane 1.45
    ethyl formate 12.84
    1,2-dichloroethane 7.35
    n-hexanol 23.38
    2-methoxyethanol 245.63
    isobutyl acetate 1.96
    tetrachloromethane 1.53
    n-pentyl acetate 8.16
    transcutol 101.91
    n-heptanol 13.53
    ethylbenzene 1.55
    MIBK 16.69
    2-propoxyethanol 83.68
    tert-butanol 88.24
    MTBE 26.96
    2-butoxyethanol 32.88
    propionic acid 24.94
    o-xylene 2.71
    formic acid 93.07
    diethyl ether 29.75
    m-xylene 2.16
    p-xylene 1.12
    chlorobenzene 0.94
    dimethyl carbonate 25.24
    n-octane 0.52
    formamide 210.87
    cyclopentanone 40.81
    2-pentanone 28.83
    anisole 11.17
    cyclopentyl methyl ether 36.26
    gamma-butyrolactone 59.47
    1-methoxy-2-propanol 166.09
    pyridine 8.95
    3-pentanone 18.87
    furfural 40.21
    n-dodecane 0.35
    diethylene glycol 105.8
    diisopropyl ether 8.03
    tert-amyl alcohol 65.86
    acetylacetone 27.51
    n-hexadecane 0.39
    acetophenone 11.43
    methyl propionate 32.51
    isopentyl acetate 8.59
    trichloroethylene 6.31
    n-nonanol 9.65
    cyclohexanol 15.29
    benzyl alcohol 10.06
    2-ethylhexanol 9.52
    isooctanol 9.09
    dipropyl ether 13.78
    1,2-dichlorobenzene 1.95
    ethyl lactate 19.65
    propylene carbonate 17.16
    n-methylformamide 126.52
    2-pentanol 31.95
    n-pentane 1.51
    1-propoxy-2-propanol 50.11
    1-methoxy-2-propyl acetate 28.41
    2-(2-methoxypropoxy) propanol 35.35
    mesitylene 2.02
    ε-caprolactone 19.84
    p-cymene 2.85
    epichlorohydrin 54.75
    1,1,1-trichloroethane 2.33
    2-aminoethanol 115.88
    morpholine-4-carbaldehyde 89.58
    sulfolane 168.15
    2,2,4-trimethylpentane 0.99
    2-methyltetrahydrofuran 48.04
    n-hexyl acetate 11.62
    isooctane 0.72
    2-(2-butoxyethoxy)ethanol 41.76
    sec-butyl acetate 6.17
    tert-butyl acetate 22.95
    decalin 0.58
    glycerin 124.95
    diglyme 76.61
    acrylic acid 24.15
    isopropyl myristate 4.82
    n-butyric acid 19.75
    acetyl acetate 7.59
    di(2-ethylhexyl) phthalate 5.74
    ethyl propionate 14.32
    nitromethane 57.03
    1,2-diethoxyethane 18.54
    benzonitrile 3.2
    trioctyl phosphate 5.58
    1-bromopropane 3.92
    gamma-valerolactone 49.61
    n-decanol 6.76
    triethyl phosphate 9.73
    4-methyl-2-pentanol 14.44
    propionitrile 6.75
    vinylene carbonate 9.84
    1,1,2-trichlorotrifluoroethane 55.97
    DMS 11.81
    cumene 1.63
    2-octanol 8.32
    2-hexanone 11.06
    octyl acetate 7.06
    limonene 4.62
    1,2-dimethoxyethane 89.59
    ethyl orthosilicate 8.36
    tributyl phosphate 5.49
    diacetone alcohol 61.85
    N,N-dimethylaniline 12.01
    acrylonitrile 10.61
    aniline 6.25
    1,3-propanediol 101.75
    bromobenzene 0.65
    dibromomethane 2.17
    1,1,2,2-tetrachloroethane 8.39
    2-methyl-cyclohexyl acetate 8.36
    tetrabutyl urea 9.83
    diisobutyl methanol 7.19
    2-phenylethanol 12.38
    styrene 1.36
    dioctyl adipate 7.95
    dimethyl sulfate 71.24
    ethyl butyrate 11.4
    methyl lactate 47.35
    butyl lactate 13.15
    diethyl carbonate 8.11
    propanediol butyl ether 30.43
    triethyl orthoformate 10.5
    p-tert-butyltoluene 3.43
    methyl 4-tert-butylbenzoate 21.36
    morpholine 55.45
    tert-butylamine 30.17
    n-dodecanol 4.44
    dimethoxymethane 153.36
    ethylene carbonate 7.96
    cyrene 37.6
    2-ethoxyethyl acetate 15.16
    2-ethylhexyl acetate 5.8
    1,2,4-trichlorobenzene 2.82
    4-methylpyridine 7.72
    dibutyl ether 6.11
    2,6-dimethyl-4-heptanol 7.19
    DEF 51.01
    dimethyl isosorbide 56.28
    tetrachloroethylene 8.0
    eugenol 19.92
    triacetin 14.01
    span 80 20.62
    1,4-butanediol 34.65
    1,1-dichloroethane 2.44
    2-methyl-1-pentanol 14.36
    methyl formate 59.58
    2-methyl-1-butanol 24.15
    n-decane 0.67
    butyronitrile 6.26
    3,7-dimethyl-1-octanol 8.08
    1-chlorooctane 2.73
    1-chlorotetradecane 0.95
    n-nonane 0.63
    undecane 0.49
    tert-butylcyclohexane 0.62
    cyclooctane 0.48
    cyclopentanol 29.37
    tetrahydropyran 16.08
    tert-amyl methyl ether 30.62
    2,5,8-trioxanonane 57.62
    1-hexene 2.44
    2-isopropoxyethanol 48.0
    2,2,2-trifluoroethanol 21.97
    methyl butyrate 16.08

    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