3-Methylcatechol

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  • Identifiers

    CAS number
    488-17-5

    Molecular formula
    C7H8O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 89.12%
    Smoky 69.37%
    Medicinal 61.49%
    Burnt 60.21%
    Spicy 54.39%
    Vanilla 41.2%
    Woody 40.6%
    Sweet 36.08%
    Balsamic 32.31%
    Leathery 29.06%

     

    Flavor
    Phenolic 77.96%
    Sweet 58.94%
    Medicinal 54.22%
    Smoky 46.46%
    Smoke 45.35%
    Phenol 43.35%
    Bitter 43.11%
    Bacon 40.62%
    Vanilla 38.4%
    Medical 37.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    10.59 (weak base)

    Molecular weight
    124.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 68 °C

    Boiling point

    • 241 °C

    Flash point

    • 112.38 ˚C est.

  • Synonyms

    • 3-methylcatechol
    • 3-methylbenzene-1,2-diol
    • 488-17-5
    • 2,3-dihydroxytoluene
    • 1,2-Benzenediol, 3-methyl-
    • 1,2-Dihydroxy-3-methylbenzene
    • 2,3-Toluenediol
    • 3-Methyl-1,2-dihydroxybenzene
    • 0HUZ4Q9R8C
    • CHEBI:18404
    • NSC-66523
    • RefChem:25867
    • 207-672-6
    • 3-Methylpyrocatechol
    • 3-Methyl-1,2-benzenediol
    • Dihydroxytoluene
    • Pyrocatechol, 3-methyl-
    • Catechol, 3-methyl-
    • 3-METHYL CATECHOL
    • MFCD00016435
    • 3-METHYL-BENZENE-1,2-DIOL
    • NSC 66523
    • CHEMBL1173328
    • NSC 66523-d3
    • EINECS 207-672-6
    • UNII-0HUZ4Q9R8C
    • BRN 0774602
    • AI3-61047
    • DTXSID9060071
    • 1,2-Dihydroxy-3-methylbenzene; 2,3-Dihydroxytoluene; 2,3-Toulenediol; 3-Methyl-1,2-benzenediol; 3-Methylpyrocatechol
    • 2, 3-Toluenediol
    • 3-Methylcatechol, 98%
    • 2-Hydroxy-3-methylphenol
    • bmse000334
    • WLN: QR BQ C1
    • SCHEMBL67369
    • 28930-19-0
    • 4-06-00-05860 (Beilstein Handbook Reference)
    • SCHEMBL547602
    • orb1303817
    • SCHEMBL1276510
    • SCHEMBL2143990
    • SCHEMBL4438400
    • SCHEMBL8766553
    • SCHEMBL9448671
    • SCHEMBL10526382
    • SCHEMBL27606374
    • 1, 2-Dihydroxy-3-methylbenzene
    • 3-Methyl-1, 2-dihydroxybenzene
    • 3-methyl-1,2-dihydroxy benzene
    • HMS1789D12
    • NSC66523
    • STR09012
    • BDBM50548725
    • EBC-48148
    • SBB055151
    • AKOS000121356
    • CS-W013531
    • DB03454
    • HY-W012815
    • AC-22587
    • PD007518
    • SY034740
    • DB-028549
    • M0184
    • NS00031826
    • ST50409862
    • EN300-16625
    • C02923
    • F067997
    • Q15303191
    • Z56347229
    • F0001-1277
    • InChI=1/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H
    • 488-17-5

  • Applications

    3-Methylcatechol (CAS 488-17-5) is primarily used as an organic synthesis intermediate. In practical applications, it serves as a building block for fragrance and flavor compounds, acts as a precursor to dyes and pigments, and can function as an antioxidant or stabilizer in polymer formulations and coatings. It is also evaluated as an intermediate in pharmaceutical and agrochemical synthesis and may be employed in specialty coatings/inks and other industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 211.75
    methanol 387.61
    isopropanol 115.42
    water 7.86
    ethyl acetate 110.12
    n-propanol 146.89
    acetone 77.88
    n-butanol 117.03
    acetonitrile 76.74
    DMF 123.28
    toluene 6.61
    isobutanol 79.78
    1,4-dioxane 327.2
    methyl acetate 103.26
    THF 359.63
    2-butanone 80.58
    n-pentanol 95.33
    sec-butanol 93.88
    n-hexane 5.44
    ethylene glycol 78.3
    NMP 71.13
    cyclohexane 3.22
    DMSO 236.54
    n-butyl acetate 80.1
    n-octanol 64.71
    chloroform 33.27
    n-propyl acetate 73.8
    acetic acid 165.27
    dichloromethane 34.29
    cyclohexanone 67.3
    propylene glycol 49.4
    isopropyl acetate 67.53
    DMAc 82.57
    2-ethoxyethanol 261.26
    isopentanol 97.98
    n-heptane 10.15
    ethyl formate 70.81
    1,2-dichloroethane 40.27
    n-hexanol 114.84
    2-methoxyethanol 329.4
    isobutyl acetate 37.31
    tetrachloromethane 13.45
    n-pentyl acetate 63.04
    transcutol 551.74
    n-heptanol 72.81
    ethylbenzene 8.54
    MIBK 76.41
    2-propoxyethanol 210.33
    tert-butanol 230.88
    MTBE 140.79
    2-butoxyethanol 139.93
    propionic acid 104.66
    o-xylene 10.61
    formic acid 202.43
    diethyl ether 143.46
    m-xylene 12.17
    p-xylene 9.86
    chlorobenzene 12.2
    dimethyl carbonate 39.8
    n-octane 5.65
    formamide 355.83
    cyclopentanone 108.62
    2-pentanone 83.58
    anisole 47.85
    cyclopentyl methyl ether 93.39
    gamma-butyrolactone 175.89
    1-methoxy-2-propanol 189.65
    pyridine 47.06
    3-pentanone 46.96
    furfural 123.15
    n-dodecane 4.48
    diethylene glycol 200.0
    diisopropyl ether 44.79
    tert-amyl alcohol 159.63
    acetylacetone 91.68
    n-hexadecane 4.79
    acetophenone 38.91
    methyl propionate 77.02
    isopentyl acetate 68.16
    trichloroethylene 60.26
    n-nonanol 57.85
    cyclohexanol 45.92
    benzyl alcohol 38.77
    2-ethylhexanol 58.6
    isooctanol 61.04
    dipropyl ether 72.15
    1,2-dichlorobenzene 17.06
    ethyl lactate 44.15
    propylene carbonate 75.16
    n-methylformamide 143.62
    2-pentanol 84.15
    n-pentane 6.24
    1-propoxy-2-propanol 140.42
    1-methoxy-2-propyl acetate 96.67
    2-(2-methoxypropoxy) propanol 119.64
    mesitylene 12.64
    ε-caprolactone 82.99
    p-cymene 16.91
    epichlorohydrin 191.87
    1,1,1-trichloroethane 29.34
    2-aminoethanol 138.85
    morpholine-4-carbaldehyde 170.32
    sulfolane 157.66
    2,2,4-trimethylpentane 7.02
    2-methyltetrahydrofuran 159.61
    n-hexyl acetate 81.85
    isooctane 8.55
    2-(2-butoxyethoxy)ethanol 198.84
    sec-butyl acetate 47.94
    tert-butyl acetate 115.77
    decalin 4.12
    glycerin 103.62
    diglyme 311.31
    acrylic acid 85.11
    isopropyl myristate 40.71
    n-butyric acid 113.07
    acetyl acetate 53.77
    di(2-ethylhexyl) phthalate 29.72
    ethyl propionate 58.5
    nitromethane 247.55
    1,2-diethoxyethane 167.34
    benzonitrile 26.95
    trioctyl phosphate 30.26
    1-bromopropane 21.52
    gamma-valerolactone 171.29
    n-decanol 44.7
    triethyl phosphate 31.26
    4-methyl-2-pentanol 63.84
    propionitrile 53.12
    vinylene carbonate 62.84
    1,1,2-trichlorotrifluoroethane 104.26
    DMS 52.27
    cumene 11.34
    2-octanol 48.94
    2-hexanone 65.43
    octyl acetate 47.98
    limonene 23.21
    1,2-dimethoxyethane 264.86
    ethyl orthosilicate 34.75
    tributyl phosphate 33.7
    diacetone alcohol 148.18
    N,N-dimethylaniline 32.81
    acrylonitrile 68.0
    aniline 23.29
    1,3-propanediol 195.19
    bromobenzene 8.44
    dibromomethane 21.61
    1,1,2,2-tetrachloroethane 46.99
    2-methyl-cyclohexyl acetate 47.14
    tetrabutyl urea 38.82
    diisobutyl methanol 49.79
    2-phenylethanol 56.4
    styrene 8.4
    dioctyl adipate 49.06
    dimethyl sulfate 62.05
    ethyl butyrate 63.06
    methyl lactate 55.05
    butyl lactate 51.69
    diethyl carbonate 38.84
    propanediol butyl ether 99.41
    triethyl orthoformate 46.07
    p-tert-butyltoluene 18.76
    methyl 4-tert-butylbenzoate 66.48
    morpholine 283.8
    tert-butylamine 118.55
    n-dodecanol 34.32
    dimethoxymethane 192.23
    ethylene carbonate 55.3
    cyrene 77.9
    2-ethoxyethyl acetate 101.3
    2-ethylhexyl acetate 45.93
    1,2,4-trichlorobenzene 20.06
    4-methylpyridine 29.44
    dibutyl ether 60.91
    2,6-dimethyl-4-heptanol 49.79
    DEF 81.7
    dimethyl isosorbide 163.59
    tetrachloroethylene 45.49
    eugenol 74.3
    triacetin 68.65
    span 80 85.35
    1,4-butanediol 83.83
    1,1-dichloroethane 25.44
    2-methyl-1-pentanol 84.62
    methyl formate 113.58
    2-methyl-1-butanol 84.67
    n-decane 7.23
    butyronitrile 54.04
    3,7-dimethyl-1-octanol 60.35
    1-chlorooctane 26.13
    1-chlorotetradecane 11.42
    n-nonane 6.59
    undecane 5.56
    tert-butylcyclohexane 6.21
    cyclooctane 2.7
    cyclopentanol 67.37
    tetrahydropyran 138.92
    tert-amyl methyl ether 94.38
    2,5,8-trioxanonane 221.17
    1-hexene 19.2
    2-isopropoxyethanol 159.32
    2,2,2-trifluoroethanol 76.88
    methyl butyrate 71.93

    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