Methyl 2,3-Dihydroxybenzoate

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  • Identifiers

    CAS number
    2411-83-8

    Molecular formula
    C8H8O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 65.41%
    Vanilla 45.13%
    Odorless 44.86%
    Sweet 40.23%
    Balsamic 36.09%
    Spicy 34.52%
    Smoky 32.7%
    Burnt 32.47%
    Medicinal 30.8%
    Aromatic 28.7%

     

    Flavor
    Bitter 56.44%
    Phenolic 33.25%
    Sweet 31.95%
    Odorless 31.88%
    Mild 30.16%
    Powdery 28.54%
    Vanilla 25.99%
    Wintergreen 25.98%
    Faint 24.88%
    Bland 22.82%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.57 (weak base)

    Molecular weight
    168.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    339°C

    Flash point

    • 138.16 ˚C est.

  • Synonyms

    • Methyl 2,3-dihydroxybenzoate
    • 2411-83-8
    • o-Pyrocatechuic acid, methyl ester
    • Benzoic acid, 2,3-dihydroxy-, methyl ester
    • EINECS 219-317-2
    • AI3-20956
    • DTXSID20178836
    • NSC 174147
    • Methyl 2
    • 3-Dihydroxybenzoate
    • 3-Dihydroxybenzoic acid
    • RefChem:157211
    • DTXCID80101327
    • Methyl 2,3-dihydroxybenzoic acid
    • 219-317-2
    • DOAJWTSNTNAEIY-UHFFFAOYSA-N
    • 2,3-Dihydroxybenzoic Acid Methyl Ester
    • MFCD00039520
    • 2,3-Dihydroxy-benzoic acid methyl ester
    • methyl2,3-dihydroxybenzoate
    • VFY35H6NLB
    • 161069-16-5
    • SCHEMBL433982
    • Methyl 2,3-dihydroxy-benzoate
    • CHEMBL448062
    • SCHEMBL5470293
    • dihydroxy benzoic acid methyl ester
    • NSC174147
    • AKOS006281632
    • 2,3-dihydroxybenzoic acid-methyl ester
    • AC-2986
    • FM70261
    • NSC-174147
    • Benzoic acid,3-dihydroxy-, methyl ester
    • AS-11325
    • SY003495
    • CS-0150887
    • M1737
    • NS00027560
    • EN300-3215375
    • F231092
    • Z1198148165
    • 2411-83-8

  • Applications

    Methyl 2,3-Dihydroxybenzoate (CAS 2411-83-8) is primarily used as a chemical building block in organic synthesis. It is commonly employed as an intermediate for the preparation of pharmaceuticals and agrochemicals, and as a precursor for fragrance compounds in perfumery. The dihydroxybenzoate scaffold can be derivatized to yield cosmetic ingredients and specialty additives for personal-care formulations. In industrial contexts, its ester and phenolic functionalities enable it to serve as a starting material for polymer and coating formulations, where it may contribute to antioxidant or stabilizing performance in certain systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 167.89
    methanol 221.18
    isopropanol 101.76
    water 4.77
    ethyl acetate 50.26
    n-propanol 97.08
    acetone 180.77
    n-butanol 69.48
    acetonitrile 81.14
    DMF 420.95
    toluene 17.53
    isobutanol 48.2
    1,4-dioxane 143.5
    methyl acetate 101.32
    THF 260.31
    2-butanone 101.51
    n-pentanol 57.91
    sec-butanol 73.69
    n-hexane 1.75
    ethylene glycol 150.72
    NMP 168.29
    cyclohexane 3.47
    DMSO 711.97
    n-butyl acetate 24.18
    n-octanol 39.73
    chloroform 35.39
    n-propyl acetate 35.06
    acetic acid 72.57
    dichloromethane 76.72
    cyclohexanone 64.32
    propylene glycol 65.49
    isopropyl acetate 26.21
    DMAc 306.77
    2-ethoxyethanol 180.87
    isopentanol 53.88
    n-heptane 4.2
    ethyl formate 68.23
    1,2-dichloroethane 72.3
    n-hexanol 43.91
    2-methoxyethanol 278.25
    isobutyl acetate 13.75
    tetrachloromethane 8.42
    n-pentyl acetate 24.21
    transcutol 114.15
    n-heptanol 38.64
    ethylbenzene 16.85
    MIBK 36.68
    2-propoxyethanol 100.66
    tert-butanol 161.87
    MTBE 56.05
    2-butoxyethanol 75.25
    propionic acid 48.08
    o-xylene 21.17
    formic acid 121.45
    diethyl ether 44.98
    m-xylene 19.19
    p-xylene 18.76
    chlorobenzene 18.75
    dimethyl carbonate 52.44
    n-octane 2.99
    formamide 321.65
    cyclopentanone 125.55
    2-pentanone 62.14
    anisole 52.22
    cyclopentyl methyl ether 47.67
    gamma-butyrolactone 142.17
    1-methoxy-2-propanol 136.85
    pyridine 68.47
    3-pentanone 42.51
    furfural 113.37
    n-dodecane 3.41
    diethylene glycol 145.87
    diisopropyl ether 12.05
    tert-amyl alcohol 108.43
    acetylacetone 71.9
    n-hexadecane 3.73
    acetophenone 53.17
    methyl propionate 66.84
    isopentyl acetate 21.01
    trichloroethylene 87.07
    n-nonanol 36.84
    cyclohexanol 43.16
    benzyl alcohol 59.55
    2-ethylhexanol 26.74
    isooctanol 30.68
    dipropyl ether 22.8
    1,2-dichlorobenzene 23.58
    ethyl lactate 34.07
    propylene carbonate 49.81
    n-methylformamide 233.58
    2-pentanol 42.82
    n-pentane 2.6
    1-propoxy-2-propanol 58.01
    1-methoxy-2-propyl acetate 38.48
    2-(2-methoxypropoxy) propanol 59.91
    mesitylene 13.16
    ε-caprolactone 57.45
    p-cymene 13.67
    epichlorohydrin 171.16
    1,1,1-trichloroethane 28.6
    2-aminoethanol 146.7
    morpholine-4-carbaldehyde 161.56
    sulfolane 199.76
    2,2,4-trimethylpentane 2.6
    2-methyltetrahydrofuran 90.52
    n-hexyl acetate 35.34
    isooctane 2.13
    2-(2-butoxyethoxy)ethanol 77.39
    sec-butyl acetate 18.41
    tert-butyl acetate 35.8
    decalin 3.11
    glycerin 106.57
    diglyme 143.43
    acrylic acid 49.19
    isopropyl myristate 18.25
    n-butyric acid 39.8
    acetyl acetate 26.55
    di(2-ethylhexyl) phthalate 20.73
    ethyl propionate 32.47
    nitromethane 197.61
    1,2-diethoxyethane 43.47
    benzonitrile 40.02
    trioctyl phosphate 19.41
    1-bromopropane 26.58
    gamma-valerolactone 134.84
    n-decanol 30.3
    triethyl phosphate 20.84
    4-methyl-2-pentanol 26.56
    propionitrile 54.39
    vinylene carbonate 47.88
    1,1,2-trichlorotrifluoroethane 117.51
    DMS 27.98
    cumene 13.72
    2-octanol 26.69
    2-hexanone 42.58
    octyl acetate 26.8
    limonene 17.58
    1,2-dimethoxyethane 199.09
    ethyl orthosilicate 18.54
    tributyl phosphate 16.06
    diacetone alcohol 81.86
    N,N-dimethylaniline 46.05
    acrylonitrile 82.88
    aniline 38.28
    1,3-propanediol 145.79
    bromobenzene 16.12
    dibromomethane 39.46
    1,1,2,2-tetrachloroethane 67.11
    2-methyl-cyclohexyl acetate 24.73
    tetrabutyl urea 30.37
    diisobutyl methanol 19.05
    2-phenylethanol 48.03
    styrene 17.32
    dioctyl adipate 27.5
    dimethyl sulfate 87.63
    ethyl butyrate 25.34
    methyl lactate 54.6
    butyl lactate 24.04
    diethyl carbonate 20.55
    propanediol butyl ether 54.33
    triethyl orthoformate 19.63
    p-tert-butyltoluene 13.8
    methyl 4-tert-butylbenzoate 53.21
    morpholine 155.24
    tert-butylamine 67.13
    n-dodecanol 24.17
    dimethoxymethane 192.85
    ethylene carbonate 38.39
    cyrene 72.15
    2-ethoxyethyl acetate 36.36
    2-ethylhexyl acetate 15.76
    1,2,4-trichlorobenzene 27.27
    4-methylpyridine 58.33
    dibutyl ether 21.97
    2,6-dimethyl-4-heptanol 19.05
    DEF 92.94
    dimethyl isosorbide 86.31
    tetrachloroethylene 47.85
    eugenol 56.93
    triacetin 34.5
    span 80 42.85
    1,4-butanediol 80.31
    1,1-dichloroethane 36.78
    2-methyl-1-pentanol 44.7
    methyl formate 180.63
    2-methyl-1-butanol 46.8
    n-decane 4.71
    butyronitrile 43.72
    3,7-dimethyl-1-octanol 30.41
    1-chlorooctane 17.4
    1-chlorotetradecane 8.45
    n-nonane 4.07
    undecane 3.96
    tert-butylcyclohexane 2.99
    cyclooctane 2.14
    cyclopentanol 57.74
    tetrahydropyran 61.73
    tert-amyl methyl ether 47.78
    2,5,8-trioxanonane 109.58
    1-hexene 8.37
    2-isopropoxyethanol 98.69
    2,2,2-trifluoroethanol 50.49
    methyl butyrate 45.98

    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