2,3-Dihydroxybenzoic acid

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  • Identifiers

    CAS number
    303-38-8

    Molecular formula
    C7H6O4

    SMILES
    C1=CC(=C(C(=C1)O)O)C(=O)O

  • Odor profile

    Fragrance
    Odorless 65.63%
    Phenolic 65.36%
    Burnt 35.9%
    Balsamic 35.59%
    Medicinal 28.11%
    Vanilla 27.88%
    Smoky 26.56%
    Bitter 23.79%
    Spicy 21.97%
    Sharp 20.63%

     

    Flavor
    Phenolic 66.91%
    Mild 49.87%
    Odorless 47.8%
    Nutty 42.74%
    Faint 32.19%
    Sour 28.23%
    Balsamic 26.48%
    Very mild 25.35%
    Urine 24.51%
    Bitter 23.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.46 (weak base)

    Molecular weight
    154.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    359°C

    Melting point expt.

    • 204 °C
    • 204.00 to 208.00 °C. @ 760.00 mm Hg

    Flash point

    • 169.26 ˚C est.

  • Synonyms

    • 2,3-Dihydroxybenzoic acid
    • 303-38-8
    • Pyrocatechuic acid
    • o-Pyrocatechuic acid
    • 2-Pyrocatechuic acid
    • Benzoic acid, 2,3-dihydroxy-
    • 3-Hydroxysalicylic acid
    • DOBK
    • 2,3-Dihydroxybenzoicacid
    • DHBA
    • Catecholcarboxylic acid
    • dihydroxybenzoic acid
    • 2,3-DIHYDROXY-BENZOIC ACID
    • 2,3 DHB
    • MFCD00002446
    • Catechol-3-carboxylic acid
    • 2,3-dihydroxy benzoic acid
    • 27138-57-4
    • 2,3-DIHDROXYBENZOIC ACID
    • CHEBI:18026
    • 70D5FBB392
    • NSC-27435
    • Resorcylic acid
    • Benzoic acid, dihydroxy-
    • EINECS 206-139-5
    • NSC 27435
    • BRN 2209117
    • Pyrocatechuate
    • UNII-70D5FBB392
    • o-Pyrocatechuate
    • Catecholcarboxylate
    • 1l6m
    • 3tf6
    • 3u0d
    • Spectrum2_001086
    • Spectrum3_001819
    • Benzoic acid,3-dihydroxy-
    • 2,3 Dihydroxy-benzoic acid
    • 2,3-Dihydroxybenzoate, IV
    • CHEMBL1432
    • SCHEMBL37458
    • BSPBio_003437
    • 4-10-00-01414 (Beilstein Handbook Reference)
    • MLS001066375
    • SPBio_001132
    • Pyrocatechol-3-carboxylic Acid
    • BDBM92456
    • KBio3_002940
    • DTXSID70858712
    • 2,3-Dihydroxybenzoic acid, 99%
    • HMS2231J14
    • HMS3369A12
    • KUC106698N
    • HY-Y0202
    • NSC27435
    • CCG-40337
    • AKOS009156763
    • AC-2985
    • CS-W019844
    • DB01672
    • FD00785
    • PS-3013
    • SDCCGMLS-0066859.P001
    • NCGC00178064-01
    • BP-12659
    • KSC-11-207-9
    • SMR000471836
    • SY003494
    • DB-027090
    • NS00009040
    • S4946
    • 1,2-DIHYDROXYBENZENE-3-CARBOXYLIC ACID
    • C00196
    • EN300-112276
    • SR-01000761414
    • Q2823200
    • SR-01000761414-2
    • Z367679198
    • 2,3-Dihydroxybenzoic acid;Catecholcarboxylic acid;NSC 27435
    • FF124556-A828-490B-B324-9AE859B695FA
    • InChI=1/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11

  • Applications

    2,3-Dihydroxybenzoic acid is commonly used as an industrial building block and intermediate in the synthesis of pharmaceutical and agrochemical intermediates. It also serves as a precursor for polyphenolic dyes and pigments and can be employed to make organic ligands and chelating agents for metal complexation in catalytic and material applications. The catechol functionality enables use as an antioxidant and stabilizer in polymer formulations, coatings, and inks, and it is sometimes evaluated for cosmetic/personal care applications as a conditioning or antioxidant ingredient. Additionally, it is explored as a starting point for specialty polymers and as a research reagent in flavor/fragrance chemistry, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 218.48
    methanol 285.29
    isopropanol 166.37
    water 11.6
    ethyl acetate 70.84
    n-propanol 150.05
    acetone 224.97
    n-butanol 121.98
    acetonitrile 35.79
    DMF 852.71
    toluene 4.38
    isobutanol 85.15
    1,4-dioxane 186.25
    methyl acetate 94.53
    THF 1678.41
    2-butanone 135.06
    n-pentanol 108.96
    sec-butanol 128.39
    n-hexane 3.04
    ethylene glycol 229.85
    NMP 224.63
    cyclohexane 0.98
    DMSO 1495.71
    n-butyl acetate 40.71
    n-octanol 61.59
    chloroform 5.67
    n-propyl acetate 59.42
    acetic acid 37.99
    dichloromethane 8.23
    cyclohexanone 64.41
    propylene glycol 89.29
    isopropyl acetate 65.57
    DMAc 508.0
    2-ethoxyethanol 341.73
    isopentanol 110.98
    n-heptane 5.23
    ethyl formate 43.43
    1,2-dichloroethane 23.52
    n-hexanol 116.44
    2-methoxyethanol 489.56
    isobutyl acetate 13.22
    tetrachloromethane 6.96
    n-pentyl acetate 34.36
    transcutol 99.25
    n-heptanol 81.53
    ethylbenzene 8.2
    MIBK 97.4
    2-propoxyethanol 261.46
    tert-butanol 321.57
    MTBE 115.14
    2-butoxyethanol 138.38
    propionic acid 36.68
    o-xylene 8.63
    formic acid 105.72
    diethyl ether 69.78
    m-xylene 10.83
    p-xylene 7.37
    chlorobenzene 3.42
    dimethyl carbonate 72.99
    n-octane 3.47
    formamide 219.0
    cyclopentanone 263.49
    2-pentanone 152.08
    anisole 43.45
    cyclopentyl methyl ether 160.58
    gamma-butyrolactone 251.48
    1-methoxy-2-propanol 341.62
    pyridine 26.65
    3-pentanone 68.53
    furfural 80.36
    n-dodecane 3.45
    diethylene glycol 283.78
    diisopropyl ether 30.88
    tert-amyl alcohol 202.02
    acetylacetone 133.87
    n-hexadecane 3.69
    acetophenone 36.69
    methyl propionate 102.88
    isopentyl acetate 28.3
    trichloroethylene 22.02
    n-nonanol 57.25
    cyclohexanol 45.89
    benzyl alcohol 37.18
    2-ethylhexanol 44.38
    isooctanol 55.22
    dipropyl ether 53.84
    1,2-dichlorobenzene 5.77
    ethyl lactate 46.56
    propylene carbonate 45.75
    n-methylformamide 282.2
    2-pentanol 105.95
    n-pentane 2.64
    1-propoxy-2-propanol 138.11
    1-methoxy-2-propyl acetate 62.53
    2-(2-methoxypropoxy) propanol 70.16
    mesitylene 11.16
    ε-caprolactone 53.8
    p-cymene 10.36
    epichlorohydrin 278.75
    1,1,1-trichloroethane 13.17
    2-aminoethanol 219.09
    morpholine-4-carbaldehyde 197.3
    sulfolane 351.68
    2,2,4-trimethylpentane 2.9
    2-methyltetrahydrofuran 283.32
    n-hexyl acetate 43.58
    isooctane 3.89
    2-(2-butoxyethoxy)ethanol 108.63
    sec-butyl acetate 32.14
    tert-butyl acetate 89.17
    decalin 2.1
    glycerin 180.82
    diglyme 173.35
    acrylic acid 29.54
    isopropyl myristate 24.71
    n-butyric acid 49.84
    acetyl acetate 24.01
    di(2-ethylhexyl) phthalate 16.61
    ethyl propionate 60.32
    nitromethane 156.54
    1,2-diethoxyethane 41.92
    benzonitrile 14.73
    trioctyl phosphate 24.24
    1-bromopropane 10.81
    gamma-valerolactone 165.8
    n-decanol 46.94
    triethyl phosphate 19.97
    4-methyl-2-pentanol 68.38
    propionitrile 39.16
    vinylene carbonate 22.93
    1,1,2-trichlorotrifluoroethane 110.09
    DMS 23.67
    cumene 8.73
    2-octanol 49.44
    2-hexanone 77.22
    octyl acetate 34.44
    limonene 13.72
    1,2-dimethoxyethane 322.84
    ethyl orthosilicate 19.65
    tributyl phosphate 15.94
    diacetone alcohol 176.89
    N,N-dimethylaniline 39.06
    acrylonitrile 49.27
    aniline 13.72
    1,3-propanediol 227.33
    bromobenzene 2.49
    dibromomethane 5.19
    1,1,2,2-tetrachloroethane 30.73
    2-methyl-cyclohexyl acetate 22.01
    tetrabutyl urea 30.07
    diisobutyl methanol 31.51
    2-phenylethanol 47.89
    styrene 6.08
    dioctyl adipate 25.58
    dimethyl sulfate 157.14
    ethyl butyrate 36.83
    methyl lactate 90.25
    butyl lactate 29.39
    diethyl carbonate 18.5
    propanediol butyl ether 69.85
    triethyl orthoformate 21.9
    p-tert-butyltoluene 12.2
    methyl 4-tert-butylbenzoate 53.49
    morpholine 235.8
    tert-butylamine 113.06
    n-dodecanol 35.04
    dimethoxymethane 475.45
    ethylene carbonate 23.08
    cyrene 77.87
    2-ethoxyethyl acetate 39.12
    2-ethylhexyl acetate 18.47
    1,2,4-trichlorobenzene 7.25
    4-methylpyridine 27.1
    dibutyl ether 26.51
    2,6-dimethyl-4-heptanol 31.51
    DEF 157.89
    dimethyl isosorbide 106.92
    tetrachloroethylene 24.18
    eugenol 57.27
    triacetin 26.05
    span 80 49.54
    1,4-butanediol 137.48
    1,1-dichloroethane 11.82
    2-methyl-1-pentanol 72.18
    methyl formate 175.21
    2-methyl-1-butanol 87.24
    n-decane 5.06
    butyronitrile 41.76
    3,7-dimethyl-1-octanol 38.4
    1-chlorooctane 18.91
    1-chlorotetradecane 8.55
    n-nonane 4.33
    undecane 4.19
    tert-butylcyclohexane 2.92
    cyclooctane 1.32
    cyclopentanol 116.73
    tetrahydropyran 84.15
    tert-amyl methyl ether 93.49
    2,5,8-trioxanonane 130.76
    1-hexene 11.67
    2-isopropoxyethanol 177.57
    2,2,2-trifluoroethanol 42.13
    methyl butyrate 70.7

    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