3-Methoxycatechol

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  • Identifiers

    CAS number
    934-00-9

    Molecular formula
    C7H8O3

    SMILES
    COC1=CC=CC(=C1O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 85.79%
    Smoky 68.26%
    Spicy 58.92%
    Vanilla 56.2%
    Burnt 55.72%
    Medicinal 53.17%
    Woody 45.69%
    Sweet 43.55%
    Balsamic 42.35%
    Clove 33.05%

     

    Flavor
    Phenolic 76.41%
    Sweet 60.11%
    Smoky 58.41%
    Vanilla 54.17%
    Medicinal 51.39%
    Smoke 50.43%
    Bacon 49.59%
    Woody 49.54%
    Spice 44.21%
    Bitter 44.15%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    10.67 (weak base)

    Molecular weight
    140.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    287°C

    Flash point

    • 111.99 ˚C est.

  • Synonyms

    • 3-METHOXYCATECHOL
    • 3-methoxybenzene-1,2-diol
    • 934-00-9
    • 3-Methoxypyrocatechol
    • 2,3-Dihydroxyanisole
    • 1,2-Dihydroxy-3-methoxybenzene
    • 6-Methoxycatechol
    • Pyrogallol 1-methyl ether
    • 1,2-Benzenediol, 3-methoxy-
    • Pyrocatechol, 3-methoxy-
    • Pyrogallol 1-monomethyl ether
    • 1-O-Methylpyrogallol
    • DTXSID4020826
    • IC13U5393C
    • NSC-66525
    • DTXCID00826
    • CHEBI:141700
    • RefChem:503246
    • 213-276-4
    • 3-Methoxy-1,2-benzenediol
    • MFCD00002191
    • NSC 66525
    • 3-Methoxy-o-hydroquinone
    • 3-methoxy-benzene-1,2-diol
    • NSC66525
    • CCRIS 7577
    • EINECS 213-276-4
    • UNII-IC13U5393C
    • AI3-21349
    • 3-(methyloxy)benzene-1,2-diol
    • Spectrum_001637
    • SpecPlus_000921
    • Spectrum2_001917
    • Spectrum3_001181
    • Spectrum4_001656
    • Spectrum5_000531
    • Omeprazole Impurity 117
    • 3-Methoxycatechol, 99%
    • Pyrogallol monomethyl ether
    • SCHEMBL67332
    • BSPBio_002821
    • KBioGR_002151
    • KBioSS_002117
    • 1,2-Benzenediol,3-methoxy-
    • DivK1c_007017
    • SCHEMBL714204
    • SPECTRUM1600919
    • SPBio_001914
    • orb1819076
    • SCHEMBL2502094
    • SCHEMBL4882575
    • SCHEMBL5207598
    • SCHEMBL7477685
    • SCHEMBL9662317
    • CHEMBL1518159
    • SCHEMBL29477155
    • KBio1_001961
    • KBio2_002117
    • KBio2_004685
    • KBio2_007253
    • KBio3_002321
    • BB_SC-12949
    • Tox21_200504
    • CCG-38485
    • AKOS000121420
    • FD70745
    • HY-W116576
    • SDCCGMLS-0066910.P001
    • NCGC00095761-01
    • NCGC00095761-02
    • NCGC00095761-03
    • NCGC00258058-01
    • 145929-30-2
    • AS-48298
    • BP-20353
    • CAS-934-00-9
    • PD000449
    • SY048938
    • DB-057398
    • meta-Substituted 3-methoxybenzene-1,2-diol
    • CS-0179150
    • M0524
    • NS00039555
    • ST50331820
    • EN300-21179
    • C23060
    • F30220
    • F242734
    • SR-05000002377
    • SR-05000002377-1
    • BRD-K97139501-001-03-3
    • Q27280656
    • 2-3-4'-TRIHYDROXY-4-METHOXYBENZOPHENONE_met007
    • F0001-2249
    • InChI=1/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H
    • 934-00-9

  • Applications

    3-Methoxycatechol (CAS 934-00-9) is primarily used as an intermediate in organic synthesis, serving as a building block for catechol-based dyes and pigments; it also functions as a precursor for catechol-containing polymers and for surface coatings/adhesives, enabling surface functionalization and adhesion at interfaces; in metal coordination chemistry it can act as a ligand for metal centers; it may provide antioxidant or stabilizing effects in some polymer formulations; and it is sometimes evaluated as a fragrance-related intermediate in perfumery, depending on formulation requirements and compliance with local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 528.37
    methanol 664.54
    isopropanol 283.47
    water 16.19
    ethyl acetate 287.7
    n-propanol 333.57
    acetone 495.07
    n-butanol 193.28
    acetonitrile 301.29
    DMF 732.87
    toluene 15.98
    isobutanol 157.77
    1,4-dioxane 931.16
    methyl acetate 390.29
    THF 1008.31
    2-butanone 296.39
    n-pentanol 147.09
    sec-butanol 199.79
    n-hexane 8.26
    ethylene glycol 514.51
    NMP 283.44
    cyclohexane 10.76
    DMSO 1829.81
    n-butyl acetate 115.48
    n-octanol 85.76
    chloroform 150.33
    n-propyl acetate 187.43
    acetic acid 433.4
    dichloromethane 201.27
    cyclohexanone 220.36
    propylene glycol 272.67
    isopropyl acetate 133.18
    DMAc 307.26
    2-ethoxyethanol 581.6
    isopentanol 125.9
    n-heptane 12.7
    ethyl formate 254.06
    1,2-dichloroethane 217.75
    n-hexanol 123.27
    2-methoxyethanol 858.32
    isobutyl acetate 83.72
    tetrachloromethane 40.44
    n-pentyl acetate 82.14
    transcutol 475.36
    n-heptanol 83.26
    ethylbenzene 22.45
    MIBK 132.86
    2-propoxyethanol 336.52
    tert-butanol 393.79
    MTBE 231.93
    2-butoxyethanol 195.65
    propionic acid 296.39
    o-xylene 24.11
    formic acid 477.46
    diethyl ether 244.43
    m-xylene 22.95
    p-xylene 27.51
    chlorobenzene 40.85
    dimethyl carbonate 171.29
    n-octane 8.32
    formamide 866.95
    cyclopentanone 415.79
    2-pentanone 218.08
    anisole 119.74
    cyclopentyl methyl ether 188.13
    gamma-butyrolactone 610.18
    1-methoxy-2-propanol 453.45
    pyridine 139.78
    3-pentanone 135.04
    furfural 363.48
    n-dodecane 7.85
    diethylene glycol 444.1
    diisopropyl ether 59.18
    tert-amyl alcohol 247.0
    acetylacetone 289.39
    n-hexadecane 8.69
    acetophenone 102.61
    methyl propionate 255.95
    isopentyl acetate 92.94
    trichloroethylene 269.93
    n-nonanol 73.79
    cyclohexanol 114.33
    benzyl alcohol 98.32
    2-ethylhexanol 68.98
    isooctanol 68.04
    dipropyl ether 92.29
    1,2-dichlorobenzene 52.21
    ethyl lactate 128.79
    propylene carbonate 222.98
    n-methylformamide 614.14
    2-pentanol 123.85
    n-pentane 9.21
    1-propoxy-2-propanol 195.47
    1-methoxy-2-propyl acetate 148.33
    2-(2-methoxypropoxy) propanol 148.0
    mesitylene 22.69
    ε-caprolactone 214.03
    p-cymene 26.52
    epichlorohydrin 698.37
    1,1,1-trichloroethane 131.01
    2-aminoethanol 505.05
    morpholine-4-carbaldehyde 445.15
    sulfolane 774.56
    2,2,4-trimethylpentane 9.98
    2-methyltetrahydrofuran 372.05
    n-hexyl acetate 114.39
    isooctane 9.67
    2-(2-butoxyethoxy)ethanol 225.79
    sec-butyl acetate 92.72
    tert-butyl acetate 184.54
    decalin 8.95
    glycerin 426.67
    diglyme 431.7
    acrylic acid 272.57
    isopropyl myristate 54.45
    n-butyric acid 242.59
    acetyl acetate 136.13
    di(2-ethylhexyl) phthalate 43.06
    ethyl propionate 142.4
    nitromethane 1019.39
    1,2-diethoxyethane 158.82
    benzonitrile 78.9
    trioctyl phosphate 47.33
    1-bromopropane 78.73
    gamma-valerolactone 489.65
    n-decanol 58.01
    triethyl phosphate 61.88
    4-methyl-2-pentanol 75.6
    propionitrile 178.74
    vinylene carbonate 185.68
    1,1,2-trichlorotrifluoroethane 405.29
    DMS 110.22
    cumene 23.03
    2-octanol 61.49
    2-hexanone 148.18
    octyl acetate 70.98
    limonene 36.79
    1,2-dimethoxyethane 635.8
    ethyl orthosilicate 57.42
    tributyl phosphate 47.68
    diacetone alcohol 250.77
    N,N-dimethylaniline 70.38
    acrylonitrile 254.17
    aniline 57.49
    1,3-propanediol 520.86
    bromobenzene 30.83
    dibromomethane 119.04
    1,1,2,2-tetrachloroethane 219.98
    2-methyl-cyclohexyl acetate 71.27
    tetrabutyl urea 58.65
    diisobutyl methanol 55.8
    2-phenylethanol 92.26
    styrene 26.48
    dioctyl adipate 73.88
    dimethyl sulfate 306.62
    ethyl butyrate 100.92
    methyl lactate 190.61
    butyl lactate 77.48
    diethyl carbonate 72.68
    propanediol butyl ether 155.03
    triethyl orthoformate 72.02
    p-tert-butyltoluene 28.54
    methyl 4-tert-butylbenzoate 106.38
    morpholine 720.31
    tert-butylamine 150.15
    n-dodecanol 46.03
    dimethoxymethane 511.43
    ethylene carbonate 165.25
    cyrene 155.1
    2-ethoxyethyl acetate 135.19
    2-ethylhexyl acetate 65.51
    1,2,4-trichlorobenzene 63.4
    4-methylpyridine 88.33
    dibutyl ether 71.21
    2,6-dimethyl-4-heptanol 55.8
    DEF 215.42
    dimethyl isosorbide 223.74
    tetrachloroethylene 166.67
    eugenol 119.46
    triacetin 113.58
    span 80 109.67
    1,4-butanediol 241.56
    1,1-dichloroethane 142.36
    2-methyl-1-pentanol 100.99
    methyl formate 526.77
    2-methyl-1-butanol 116.24
    n-decane 12.24
    butyronitrile 135.79
    3,7-dimethyl-1-octanol 66.2
    1-chlorooctane 44.12
    1-chlorotetradecane 20.18
    n-nonane 11.75
    undecane 9.65
    tert-butylcyclohexane 10.59
    cyclooctane 6.32
    cyclopentanol 196.61
    tetrahydropyran 345.01
    tert-amyl methyl ether 141.22
    2,5,8-trioxanonane 287.3
    1-hexene 28.67
    2-isopropoxyethanol 300.65
    2,2,2-trifluoroethanol 235.39
    methyl butyrate 189.44

    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