4-Methylcatechol

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  • Identifiers

    CAS number
    452-86-8

    Molecular formula
    C7H8O2

    SMILES
    CC1=CC(=C(C=C1)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 87.32%
    Smoky 62.61%
    Medicinal 55.99%
    Burnt 53.84%
    Spicy 50.79%
    Woody 39.26%
    Vanilla 35.4%
    Leathery 29.38%
    Balsamic 28.88%
    Odorless 27.31%

     

    Flavor
    Phenolic 76.25%
    Medicinal 53.25%
    Bitter 50.48%
    Smoke 43.53%
    Sweet 42.8%
    Phenol 41.72%
    Smoky 40.94%
    Medical 40.28%
    Bacon 37.59%
    Vanilla 34.34%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    10.88 (weak base)

    Molecular weight
    124.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 65 °C

    Boiling point

    • 251 °C

    Flash point

    • 111.84 ˚C est.

  • Synonyms

    • 4-Methylcatechol
    • 452-86-8
    • 4-methylbenzene-1,2-diol
    • 3,4-Dihydroxytoluene
    • Homocatechol
    • 4-Methyl-1,2-benzenediol
    • Homopyrocatechol
    • p-Methylcatechol
    • Toluene-3,4-diol
    • 1,2-Dihydroxy-4-methylbenzene
    • p-Methylpyrocatechol
    • 1,2-Benzenediol, 4-methyl-
    • 4-Methyl-1,2-dihydroxybenzene
    • Pyrocatechol, 4-methyl-
    • 2-Hydroxy-4-methylphenol
    • DTXSID5020861
    • CHEBI:17254
    • 12GLI7JGB3
    • NSC-17489
    • DTXCID30861
    • HMDB00873
    • RefChem:25942
    • 207-214-5
    • 4-METHYLPYROCATECHOL
    • MFCD00002205
    • 4-methyl catechol
    • NSC 17489
    • 1-Methyl-3,4-dihydroxybenzene
    • CHEMBL158766
    • 5-methylcatechol
    • MCT
    • CCRIS 3333
    • EINECS 207-214-5
    • UNII-12GLI7JGB3
    • BRN 0636512
    • 4-Methylcatehol
    • 4-Metylcatechol
    • 4-methyl-catechol
    • 4-methyl pyrocatechol
    • 4-methyl-Pyrocatechol
    • 83719-41-9
    • 4k7n
    • bmse000475
    • Epitope ID:150928
    • 4-methyl-benzene-1,2-diol
    • SCHEMBL12388
    • 4-Methylcatechol, >=95%
    • METHYL CATECHOL, 4-
    • MLS001066329
    • SCHEMBL188205
    • SCHEMBL929797
    • 4-Methylbenzene-1,2-diol #
    • 1,2-dihydroxy-5-methylbenzene
    • orb1302570
    • SCHEMBL4188672
    • SCHEMBL7205919
    • SCHEMBL9282787
    • SCHEMBL11191506
    • SCHEMBL14764121
    • SCHEMBL27606294
    • SCHEMBL27606580
    • SCHEMBL29406334
    • 4-methyl-1,2-dihydroxy benzene
    • MSK2678
    • HMS3886M12
    • NSC17489
    • Tox21_200632
    • BDBM50548723
    • c0126
    • EBC-48149
    • s5616
    • SBB061372
    • AKOS000121479
    • CCG-266087
    • CS-W013530
    • DB04120
    • FM39032
    • HY-W012814
    • NCGC00248773-01
    • NCGC00258186-01
    • AC-12438
    • AS-11944
    • CAS-452-86-8
    • SMR000471857
    • SY012747
    • DB-051291
    • M0413
    • NS00015292
    • ST51047392
    • EN300-21094
    • C06730
    • D70562
    • F424851
    • DROXIDOPA METABOLITE (3,4-DIHYDROXYTOLUENE)
    • Q15303189
    • F0001-1227
    • Z104490128
    • InChI=1/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H
    • 452-86-8

  • Applications

    4-Methylcatechol (CAS 452-86-8) is primarily used as a chemical synthesis intermediate and building block in organic manufacturing. In fragrance and flavor chemistry, it serves as a precursor to substituted catechols that contribute to specific aroma profiles. It also serves as a precursor for dyes and pigments and as a starting material for specialty polymers and coatings, where it can function as an antioxidant and UV-stabilizing additive. It is sometimes used as an intermediate in pharmaceutical synthesis, and may see use in adhesives and related industrial materials. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 317.04
    methanol 376.54
    isopropanol 249.78
    water 6.99
    ethyl acetate 218.63
    n-propanol 217.34
    acetone 375.96
    n-butanol 159.07
    acetonitrile 198.42
    DMF 320.19
    toluene 14.33
    isobutanol 134.81
    1,4-dioxane 551.49
    methyl acetate 255.31
    THF 1072.16
    2-butanone 241.16
    n-pentanol 134.76
    sec-butanol 176.32
    n-hexane 7.82
    ethylene glycol 126.13
    NMP 144.09
    cyclohexane 3.42
    DMSO 485.51
    n-butyl acetate 127.69
    n-octanol 109.6
    chloroform 56.12
    n-propyl acetate 135.33
    acetic acid 194.16
    dichloromethane 48.18
    cyclohexanone 137.86
    propylene glycol 107.14
    isopropyl acetate 118.6
    DMAc 198.95
    2-ethoxyethanol 294.64
    isopentanol 140.65
    n-heptane 12.66
    ethyl formate 128.79
    1,2-dichloroethane 60.09
    n-hexanol 209.01
    2-methoxyethanol 379.48
    isobutyl acetate 80.92
    tetrachloromethane 19.35
    n-pentyl acetate 80.02
    transcutol 357.19
    n-heptanol 124.31
    ethylbenzene 20.55
    MIBK 132.5
    2-propoxyethanol 347.48
    tert-butanol 352.58
    MTBE 232.9
    2-butoxyethanol 205.66
    propionic acid 176.81
    o-xylene 19.76
    formic acid 140.02
    diethyl ether 163.93
    m-xylene 27.53
    p-xylene 25.08
    chlorobenzene 26.07
    dimethyl carbonate 78.28
    n-octane 7.89
    formamide 232.7
    cyclopentanone 320.27
    2-pentanone 190.39
    anisole 91.75
    cyclopentyl methyl ether 177.18
    gamma-butyrolactone 381.53
    1-methoxy-2-propanol 290.29
    pyridine 80.71
    3-pentanone 98.57
    furfural 174.58
    n-dodecane 7.5
    diethylene glycol 281.16
    diisopropyl ether 59.2
    tert-amyl alcohol 244.16
    acetylacetone 201.92
    n-hexadecane 7.91
    acetophenone 67.86
    methyl propionate 161.51
    isopentyl acetate 104.62
    trichloroethylene 95.77
    n-nonanol 96.08
    cyclohexanol 76.74
    benzyl alcohol 63.69
    2-ethylhexanol 96.04
    isooctanol 96.62
    dipropyl ether 101.03
    1,2-dichlorobenzene 28.29
    ethyl lactate 75.05
    propylene carbonate 138.66
    n-methylformamide 230.83
    2-pentanol 128.49
    n-pentane 5.91
    1-propoxy-2-propanol 207.57
    1-methoxy-2-propyl acetate 137.64
    2-(2-methoxypropoxy) propanol 131.78
    mesitylene 22.74
    ε-caprolactone 131.28
    p-cymene 24.26
    epichlorohydrin 359.79
    1,1,1-trichloroethane 62.31
    2-aminoethanol 188.12
    morpholine-4-carbaldehyde 231.72
    sulfolane 304.47
    2,2,4-trimethylpentane 8.45
    2-methyltetrahydrofuran 355.14
    n-hexyl acetate 114.67
    isooctane 10.62
    2-(2-butoxyethoxy)ethanol 213.22
    sec-butyl acetate 79.51
    tert-butyl acetate 160.74
    decalin 6.24
    glycerin 160.5
    diglyme 325.97
    acrylic acid 125.67
    isopropyl myristate 53.64
    n-butyric acid 165.54
    acetyl acetate 82.54
    di(2-ethylhexyl) phthalate 38.71
    ethyl propionate 103.24
    nitromethane 379.61
    1,2-diethoxyethane 135.71
    benzonitrile 51.24
    trioctyl phosphate 43.64
    1-bromopropane 30.54
    gamma-valerolactone 286.41
    n-decanol 74.7
    triethyl phosphate 43.37
    4-methyl-2-pentanol 96.71
    propionitrile 118.74
    vinylene carbonate 96.2
    1,1,2-trichlorotrifluoroethane 161.86
    DMS 65.33
    cumene 23.4
    2-octanol 82.7
    2-hexanone 138.0
    octyl acetate 72.51
    limonene 33.61
    1,2-dimethoxyethane 369.15
    ethyl orthosilicate 43.01
    tributyl phosphate 40.77
    diacetone alcohol 220.82
    N,N-dimethylaniline 60.2
    acrylonitrile 138.28
    aniline 37.59
    1,3-propanediol 240.94
    bromobenzene 17.83
    dibromomethane 30.03
    1,1,2,2-tetrachloroethane 82.13
    2-methyl-cyclohexyl acetate 65.19
    tetrabutyl urea 50.97
    diisobutyl methanol 65.37
    2-phenylethanol 103.5
    styrene 18.29
    dioctyl adipate 58.99
    dimethyl sulfate 118.15
    ethyl butyrate 91.84
    methyl lactate 100.88
    butyl lactate 63.35
    diethyl carbonate 56.42
    propanediol butyl ether 128.9
    triethyl orthoformate 56.63
    p-tert-butyltoluene 28.01
    methyl 4-tert-butylbenzoate 94.27
    morpholine 427.41
    tert-butylamine 160.16
    n-dodecanol 57.28
    dimethoxymethane 290.98
    ethylene carbonate 85.42
    cyrene 111.36
    2-ethoxyethyl acetate 104.81
    2-ethylhexyl acetate 68.68
    1,2,4-trichlorobenzene 32.76
    4-methylpyridine 69.54
    dibutyl ether 73.75
    2,6-dimethyl-4-heptanol 65.37
    DEF 127.37
    dimethyl isosorbide 194.89
    tetrachloroethylene 59.31
    eugenol 105.52
    triacetin 74.41
    span 80 105.67
    1,4-butanediol 123.36
    1,1-dichloroethane 62.13
    2-methyl-1-pentanol 110.92
    methyl formate 211.41
    2-methyl-1-butanol 114.87
    n-decane 11.66
    butyronitrile 109.67
    3,7-dimethyl-1-octanol 84.08
    1-chlorooctane 45.86
    1-chlorotetradecane 19.18
    n-nonane 10.88
    undecane 9.16
    tert-butylcyclohexane 10.24
    cyclooctane 3.04
    cyclopentanol 147.56
    tetrahydropyran 251.65
    tert-amyl methyl ether 138.83
    2,5,8-trioxanonane 226.7
    1-hexene 32.1
    2-isopropoxyethanol 210.29
    2,2,2-trifluoroethanol 94.55
    methyl butyrate 131.6

    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