3-Isopropyl-6-methylpyrocatechol

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  • Identifiers

    CAS number
    490-06-2

    Molecular formula
    C10H14O2

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 86.64%
    Smoky 69.2%
    Spicy 65.11%
    Medicinal 58.5%
    Burnt 53.54%
    Woody 50.15%
    Leathery 38.86%
    Balsamic 27.91%
    Sweet 27.79%
    Dry 27.25%

     

    Flavor
    Phenolic 64.1%
    Medicinal 49.98%
    Spicy 37.91%
    Smoky 36.83%
    Spice 36.26%
    Smoke 32.89%
    Woody 32.63%
    Camphor 31.17%
    Bacon 31.02%
    Mild 28.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    11.59 (strong base)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    297°C

    Flash point

    • 135.91 ˚C est.

  • Synonyms

    • 490-06-2
    • Cymopyrocatechol
    • 3-Isopropyl-6-methylpyrocatechol
    • p-cymene-2,3-diol
    • 3-isopropyl-6-methylcatechol
    • NSC 40567
    • Pyrocatechol, 2-isopropyl-6-methyl-
    • BRN 2248022
    • 93XFQ715UL
    • 3-methyl-6-propan-2-ylbenzene-1,2-diol
    • NSC-40567
    • 1,2-Benzenediol, 3-methyl-6-(1-methylethyl)-
    • 2,3-DIHYDROXY-P-CYMENE
    • DTXSID10197652
    • 3-isopropyl-6-methyl-1,2-benzenediol
    • 2,3-DIHYDROXY-4-ISOPROPYL-1-METHYLBENZENE
    • 3-METHYL-6-(1-METHYLETHYL)-1,2-BENZENEDIOL
    • p-Cymene-2,3-diol (7CI,8CI)
    • RefChem:502854
    • DTXCID70120143
    • 1,2-Benzenediol, 3-methyl-6-(1-methylethyl)-(9CI)
    • 622-747-7
    • THANOL
    • 3-isopropyl-6-methylbenzene-1,2-diol
    • 3-methyl-6-(propan-2-yl)benzene-1,2-diol
    • 3-Isopropyl-6-Methyl-Benzene-1,2-Diol
    • NSC40567
    • p-cymene 2,3-diol
    • UNII-93XFQ715UL
    • SCHEMBL1494556
    • LYUBXLHGANLIMX-UHFFFAOYSA-N
    • AKOS006275160
    • CS-0353716
    • NS00115983
    • G83481
    • EN300-1599484
    • F734866
    • 490-06-2

  • Applications

    3-Isopropyl-6-methylpyrocatechol (CAS 490-06-2) is used as a specialty chemical intermediate in organic synthesis, serving as a building block for functional aromatic compounds that can be further modified, such as dyes and pigments, as well as pharmaceutical precursors. In industry, it can act as an antioxidant and stabilizer in polymer systems, coatings, and inks, helping to extend service life and resist radical degradation. It may also serve as a precursor or intermediate in the production of dyes, pigments, and related performance additives. In cosmetics and personal care, it is sometimes evaluated as an antioxidant or processing aid, subject to regulatory requirements and formulation compatibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 578.9
    methanol 605.66
    isopropanol 438.46
    water 1.67
    ethyl acetate 210.65
    n-propanol 402.46
    acetone 490.66
    n-butanol 284.85
    acetonitrile 514.41
    DMF 717.3
    toluene 63.04
    isobutanol 237.26
    1,4-dioxane 778.55
    methyl acetate 324.21
    THF 921.29
    2-butanone 339.77
    n-pentanol 212.83
    sec-butanol 281.03
    n-hexane 16.37
    ethylene glycol 94.61
    NMP 260.87
    cyclohexane 25.03
    DMSO 551.06
    n-butyl acetate 217.77
    n-octanol 144.48
    chloroform 454.83
    n-propyl acetate 164.6
    acetic acid 272.37
    dichloromethane 482.3
    cyclohexanone 302.02
    propylene glycol 95.29
    isopropyl acetate 108.01
    DMAc 273.3
    2-ethoxyethanol 284.76
    isopentanol 191.61
    n-heptane 24.11
    ethyl formate 255.41
    1,2-dichloroethane 340.84
    n-hexanol 298.63
    2-methoxyethanol 457.94
    isobutyl acetate 98.2
    tetrachloromethane 81.05
    n-pentyl acetate 140.42
    transcutol 339.4
    n-heptanol 163.02
    ethylbenzene 61.24
    MIBK 114.43
    2-propoxyethanol 334.64
    tert-butanol 432.44
    MTBE 267.95
    2-butoxyethanol 217.89
    propionic acid 197.18
    o-xylene 51.83
    formic acid 134.28
    diethyl ether 275.95
    m-xylene 57.55
    p-xylene 77.44
    chlorobenzene 118.7
    dimethyl carbonate 68.21
    n-octane 16.45
    formamide 299.12
    cyclopentanone 439.33
    2-pentanone 209.18
    anisole 131.95
    cyclopentyl methyl ether 178.68
    gamma-butyrolactone 499.02
    1-methoxy-2-propanol 289.58
    pyridine 319.59
    3-pentanone 131.96
    furfural 313.49
    n-dodecane 12.54
    diethylene glycol 230.03
    diisopropyl ether 59.4
    tert-amyl alcohol 270.62
    acetylacetone 196.11
    n-hexadecane 14.05
    acetophenone 111.52
    methyl propionate 165.04
    isopentyl acetate 172.94
    trichloroethylene 517.54
    n-nonanol 120.51
    cyclohexanol 151.99
    benzyl alcohol 111.08
    2-ethylhexanol 138.31
    isooctanol 121.76
    dipropyl ether 145.73
    1,2-dichlorobenzene 104.15
    ethyl lactate 72.72
    propylene carbonate 212.31
    n-methylformamide 444.5
    2-pentanol 161.64
    n-pentane 16.96
    1-propoxy-2-propanol 229.47
    1-methoxy-2-propyl acetate 152.7
    2-(2-methoxypropoxy) propanol 125.22
    mesitylene 41.57
    ε-caprolactone 227.72
    p-cymene 54.83
    epichlorohydrin 556.74
    1,1,1-trichloroethane 235.19
    2-aminoethanol 193.82
    morpholine-4-carbaldehyde 293.84
    sulfolane 379.16
    2,2,4-trimethylpentane 13.84
    2-methyltetrahydrofuran 419.73
    n-hexyl acetate 172.17
    isooctane 13.34
    2-(2-butoxyethoxy)ethanol 200.11
    sec-butyl acetate 86.6
    tert-butyl acetate 128.21
    decalin 15.96
    glycerin 117.63
    diglyme 349.18
    acrylic acid 152.6
    isopropyl myristate 64.95
    n-butyric acid 243.78
    acetyl acetate 94.74
    di(2-ethylhexyl) phthalate 59.81
    ethyl propionate 109.06
    nitromethane 569.09
    1,2-diethoxyethane 203.37
    benzonitrile 150.93
    trioctyl phosphate 58.55
    1-bromopropane 173.17
    gamma-valerolactone 441.82
    n-decanol 91.46
    triethyl phosphate 55.94
    4-methyl-2-pentanol 89.92
    propionitrile 305.02
    vinylene carbonate 203.92
    1,1,2-trichlorotrifluoroethane 223.98
    DMS 84.0
    cumene 49.21
    2-octanol 112.4
    2-hexanone 174.99
    octyl acetate 91.46
    limonene 70.88
    1,2-dimethoxyethane 505.37
    ethyl orthosilicate 57.0
    tributyl phosphate 52.55
    diacetone alcohol 167.63
    N,N-dimethylaniline 85.39
    acrylonitrile 355.25
    aniline 99.34
    1,3-propanediol 299.2
    bromobenzene 114.0
    dibromomethane 317.93
    1,1,2,2-tetrachloroethane 330.35
    2-methyl-cyclohexyl acetate 99.29
    tetrabutyl urea 69.77
    diisobutyl methanol 78.97
    2-phenylethanol 148.56
    styrene 65.16
    dioctyl adipate 78.45
    dimethyl sulfate 95.71
    ethyl butyrate 124.78
    methyl lactate 75.87
    butyl lactate 91.37
    diethyl carbonate 82.93
    propanediol butyl ether 148.96
    triethyl orthoformate 83.87
    p-tert-butyltoluene 54.34
    methyl 4-tert-butylbenzoate 122.69
    morpholine 702.19
    tert-butylamine 232.48
    n-dodecanol 67.12
    dimethoxymethane 341.5
    ethylene carbonate 173.91
    cyrene 118.12
    2-ethoxyethyl acetate 159.08
    2-ethylhexyl acetate 126.09
    1,2,4-trichlorobenzene 106.86
    4-methylpyridine 221.04
    dibutyl ether 112.41
    2,6-dimethyl-4-heptanol 78.97
    DEF 184.19
    dimethyl isosorbide 204.17
    tetrachloroethylene 230.22
    eugenol 125.62
    triacetin 102.98
    span 80 118.62
    1,4-butanediol 120.24
    1,1-dichloroethane 297.82
    2-methyl-1-pentanol 149.27
    methyl formate 333.38
    2-methyl-1-butanol 167.8
    n-decane 22.22
    butyronitrile 293.03
    3,7-dimethyl-1-octanol 101.42
    1-chlorooctane 82.33
    1-chlorotetradecane 30.23
    n-nonane 21.36
    undecane 16.4
    tert-butylcyclohexane 18.3
    cyclooctane 9.71
    cyclopentanol 209.74
    tetrahydropyran 472.7
    tert-amyl methyl ether 138.85
    2,5,8-trioxanonane 223.5
    1-hexene 68.54
    2-isopropoxyethanol 184.52
    2,2,2-trifluoroethanol 102.05
    methyl butyrate 163.62

    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