1,2-Benzenediol, 4-methoxy-

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  • Identifiers

    CAS number
    3934-97-2

    Molecular formula
    C7H8O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 83.88%
    Smoky 59.87%
    Vanilla 58.7%
    Spicy 51.19%
    Burnt 50.66%
    Medicinal 49.82%
    Sweet 43.87%
    Balsamic 41.03%
    Woody 38.7%
    Creamy 29.77%

     

    Flavor
    Phenolic 65.09%
    Bitter 60.81%
    Vanilla 44.51%
    Smoky 43.06%
    Sweet 42.35%
    Medicinal 41.64%
    Smoke 39.55%
    Bacon 36.92%
    Phenol 33.72%
    Woody 33.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    10.28 (weak base)

    Molecular weight
    140.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    292°C

    Flash point

    • 125.19 ˚C est.

  • Synonyms

    • 4-Methoxybenzene-1,2-diol
    • 3934-97-2
    • p-Methoxycatechol
    • 1,2-Benzenediol, 4-methoxy-
    • DTXSID50192565
    • RefChem:411264
    • DTXCID90115056
    • 811-540-9
    • 4-METHOXYCATECHOL
    • 4-Methoxy-1,2-benzenediol
    • MFCD18395726
    • 3,4-dihydroxyanisole
    • 4-methoxy pyrocatechol
    • Omeprazole Impurity 69
    • SCHEMBL67498
    • 4-Methoxy-1,2-benzenediol #
    • orb2695041
    • SCHEMBL5898722
    • 1,2-dihydroxy-4-methoxybenzene
    • SCHEMBL11619866
    • SCHEMBL16056542
    • SCHEMBL29950410
    • CHEBI:193963
    • AKOS022518929
    • 4-Methoxycatechol, 3,4-Dihydroxyanisole
    • PS-11849
    • SY299567
    • DB-229177
    • CS-0160866
    • NS00132770
    • F18177
    • EN300-1448499
    • F544955
    • 3934-97-2

  • Applications

    1,2-Benzenediol, 4-methoxy- (CAS 3934-97-2) is a phenolic derivative used as a versatile building block across several industrial applications. It serves as an intermediate in the synthesis of dyes and pigments. It is employed as an intermediate in pharmaceutical synthesis. In the fragrance and flavor sector, it may be used as a component or precursor of aroma compounds. Because of its phenolic character and susceptibility to oxidation, it can function as an antioxidant or stabilizer in polymer formulations and coatings, helping to extend product life and enhance stability. Additionally, it can act as a construction block in coating, ink, and adhesive formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 254.49
    methanol 324.32
    isopropanol 172.65
    water 10.7
    ethyl acetate 104.96
    n-propanol 178.72
    acetone 265.83
    n-butanol 111.3
    acetonitrile 195.43
    DMF 364.01
    toluene 12.16
    isobutanol 101.79
    1,4-dioxane 310.28
    methyl acetate 228.8
    THF 466.17
    2-butanone 174.6
    n-pentanol 71.59
    sec-butanol 124.56
    n-hexane 1.82
    ethylene glycol 208.02
    NMP 151.86
    cyclohexane 5.62
    DMSO 755.04
    n-butyl acetate 37.73
    n-octanol 45.83
    chloroform 53.53
    n-propyl acetate 53.97
    acetic acid 186.98
    dichloromethane 114.24
    cyclohexanone 101.5
    propylene glycol 137.77
    isopropyl acetate 43.88
    DMAc 337.12
    2-ethoxyethanol 212.76
    isopentanol 80.76
    n-heptane 7.31
    ethyl formate 130.08
    1,2-dichloroethane 83.8
    n-hexanol 61.88
    2-methoxyethanol 384.91
    isobutyl acetate 24.62
    tetrachloromethane 14.97
    n-pentyl acetate 28.59
    transcutol 180.01
    n-heptanol 43.05
    ethylbenzene 12.31
    MIBK 50.79
    2-propoxyethanol 127.64
    tert-butanol 303.86
    MTBE 115.51
    2-butoxyethanol 85.81
    propionic acid 125.39
    o-xylene 18.59
    formic acid 170.49
    diethyl ether 69.47
    m-xylene 13.98
    p-xylene 17.57
    chlorobenzene 19.91
    dimethyl carbonate 63.6
    n-octane 3.56
    formamide 424.95
    cyclopentanone 189.06
    2-pentanone 83.46
    anisole 61.14
    cyclopentyl methyl ether 77.59
    gamma-butyrolactone 255.67
    1-methoxy-2-propanol 187.12
    pyridine 87.76
    3-pentanone 60.54
    furfural 156.59
    n-dodecane 4.12
    diethylene glycol 161.05
    diisopropyl ether 19.17
    tert-amyl alcohol 180.32
    acetylacetone 102.09
    n-hexadecane 4.38
    acetophenone 54.47
    methyl propionate 111.33
    isopentyl acetate 34.79
    trichloroethylene 106.53
    n-nonanol 41.54
    cyclohexanol 65.8
    benzyl alcohol 55.56
    2-ethylhexanol 36.47
    isooctanol 34.81
    dipropyl ether 40.46
    1,2-dichlorobenzene 24.4
    ethyl lactate 43.74
    propylene carbonate 88.2
    n-methylformamide 282.96
    2-pentanol 58.68
    n-pentane 3.04
    1-propoxy-2-propanol 77.77
    1-methoxy-2-propyl acetate 58.15
    2-(2-methoxypropoxy) propanol 78.56
    mesitylene 11.73
    ε-caprolactone 88.51
    p-cymene 15.36
    epichlorohydrin 277.52
    1,1,1-trichloroethane 55.4
    2-aminoethanol 241.09
    morpholine-4-carbaldehyde 223.75
    sulfolane 256.81
    2,2,4-trimethylpentane 3.9
    2-methyltetrahydrofuran 189.88
    n-hexyl acetate 44.53
    isooctane 3.04
    2-(2-butoxyethoxy)ethanol 98.93
    sec-butyl acetate 28.57
    tert-butyl acetate 61.63
    decalin 3.69
    glycerin 184.37
    diglyme 197.07
    acrylic acid 108.19
    isopropyl myristate 24.36
    n-butyric acid 93.26
    acetyl acetate 59.16
    di(2-ethylhexyl) phthalate 26.4
    ethyl propionate 45.24
    nitromethane 427.8
    1,2-diethoxyethane 60.0
    benzonitrile 44.86
    trioctyl phosphate 22.83
    1-bromopropane 30.6
    gamma-valerolactone 204.5
    n-decanol 33.89
    triethyl phosphate 30.54
    4-methyl-2-pentanol 35.02
    propionitrile 107.51
    vinylene carbonate 76.35
    1,1,2-trichlorotrifluoroethane 161.75
    DMS 42.14
    cumene 12.17
    2-octanol 26.59
    2-hexanone 53.52
    octyl acetate 33.17
    limonene 23.09
    1,2-dimethoxyethane 257.04
    ethyl orthosilicate 27.95
    tributyl phosphate 21.95
    diacetone alcohol 109.72
    N,N-dimethylaniline 45.16
    acrylonitrile 139.8
    aniline 39.97
    1,3-propanediol 225.37
    bromobenzene 15.14
    dibromomethane 47.96
    1,1,2,2-tetrachloroethane 77.11
    2-methyl-cyclohexyl acetate 35.88
    tetrabutyl urea 34.99
    diisobutyl methanol 27.24
    2-phenylethanol 50.62
    styrene 13.29
    dioctyl adipate 38.34
    dimethyl sulfate 108.43
    ethyl butyrate 41.51
    methyl lactate 73.54
    butyl lactate 29.52
    diethyl carbonate 36.05
    propanediol butyl ether 65.07
    triethyl orthoformate 32.13
    p-tert-butyltoluene 16.59
    methyl 4-tert-butylbenzoate 59.67
    morpholine 300.03
    tert-butylamine 117.25
    n-dodecanol 27.39
    dimethoxymethane 203.79
    ethylene carbonate 65.42
    cyrene 87.9
    2-ethoxyethyl acetate 49.1
    2-ethylhexyl acetate 24.81
    1,2,4-trichlorobenzene 31.38
    4-methylpyridine 63.75
    dibutyl ether 31.64
    2,6-dimethyl-4-heptanol 27.24
    DEF 114.02
    dimethyl isosorbide 118.87
    tetrachloroethylene 51.77
    eugenol 60.78
    triacetin 51.55
    span 80 54.47
    1,4-butanediol 95.36
    1,1-dichloroethane 62.11
    2-methyl-1-pentanol 55.66
    methyl formate 239.36
    2-methyl-1-butanol 75.72
    n-decane 5.68
    butyronitrile 81.18
    3,7-dimethyl-1-octanol 38.38
    1-chlorooctane 19.64
    1-chlorotetradecane 10.15
    n-nonane 4.95
    undecane 4.75
    tert-butylcyclohexane 3.83
    cyclooctane 2.63
    cyclopentanol 112.7
    tetrahydropyran 132.85
    tert-amyl methyl ether 73.28
    2,5,8-trioxanonane 154.28
    1-hexene 8.32
    2-isopropoxyethanol 114.57
    2,2,2-trifluoroethanol 104.76
    methyl butyrate 66.7

    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