4-Isopropylcatechol

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  • Identifiers

    CAS number
    2138-43-4

    Molecular formula
    C9H12O2

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 83.75%
    Smoky 60.75%
    Spicy 60.11%
    Medicinal 53.09%
    Burnt 46.5%
    Woody 44.42%
    Leathery 35.41%
    Dry 26.54%
    Odorless 24.73%
    Balsamic 24.57%

     

    Flavor
    Phenolic 62.19%
    Medicinal 54.51%
    Woody 43.8%
    Spicy 43.63%
    Spice 40.69%
    Camphor 32.56%
    Bitter 32.35%
    Smoky 31.8%
    Smoke 29.15%
    Herbal 27.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    10.71 (weak base)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    275°C

    Flash point

    • 135.54 ˚C est.

  • Synonyms

    • 4-ISOPROPYLCATECHOL
    • 2138-43-4
    • Pyrocatechol, 4-isopropyl-
    • 4-(1-Methylethyl)-1,2-benzenediol
    • 1,2-Benzenediol, 4-(1-methylethyl)-
    • SE856V0X6N
    • DTXSID20175643
    • NSC-62676
    • RefChem:99505
    • DTXCID0098134
    • 218-384-5
    • 4-propan-2-ylbenzene-1,2-diol
    • 4-(propan-2-yl)benzene-1,2-diol
    • 4-iso-Propylcatechol
    • 4-isopropylbenzene-1,2-diol
    • MFCD00016704
    • 4-Isopropylpyrocatechol
    • 4-Isopropylpyrocatechol; NSC 62676;
    • p-isopropylcatechol
    • WYVMDJWLFVQZAL-UHFFFAOYSA-N
    • Benzenediol, 4-(1-methylethyl)-
    • 4-(1-Methylethyl)-1,2-benzenediol; 1,2-Dihydroxy-4-isopropylbenzene; 4-Isopropyl-1,2-benzenediol; 4-Isopropyl-1,2-dihydroxybenzene; 4-Isopropylcatechol;
    • EINECS 218-384-5
    • NSC 62676
    • BRN 2043519
    • UNII-SE856V0X6N
    • 1, 4-(1-methylethyl)-
    • SCHEMBL172232
    • SCHEMBL715266
    • orb1298397
    • SCHEMBL4886053
    • SCHEMBL29362968
    • NSC62676
    • AKOS006280829
    • FI66175
    • 1,2-DIHYDROXY-4-ISOPROPYLBENZENE
    • PD158895
    • TS-09940
    • HY-139430
    • CS-0201149
    • NS00026853
    • EN300-177348
    • G74619
    • 3-06-00-04632 (Beilstein Handbook Reference)
    • F634808
    • Q27289157
    • 2138-43-4

  • Applications

    4-Isopropylcatechol (CAS 2138-43-4) is primarily used as a chemical building block in organic synthesis. It serves as an intermediate for the preparation of specialty dyes and pigments, and can act as a precursor in fragrance and flavor chemistry. In polymer and coating applications, it may function as an antioxidant or stabilizer to improve thermal and oxidative stability. It is also employed as a starting material for various functional materials and may be evaluated for use in cosmetics and personal care formulations under local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 528.51
    methanol 262.09
    isopropanol 423.59
    water 0.75
    ethyl acetate 385.0
    n-propanol 427.62
    acetone 734.77
    n-butanol 303.3
    acetonitrile 483.23
    DMF 789.31
    toluene 39.98
    isobutanol 257.49
    1,4-dioxane 406.98
    methyl acetate 450.69
    THF 992.4
    2-butanone 563.76
    n-pentanol 138.91
    sec-butanol 282.99
    n-hexane 3.83
    ethylene glycol 98.03
    NMP 352.92
    cyclohexane 6.26
    DMSO 783.36
    n-butyl acetate 229.64
    n-octanol 82.45
    chloroform 199.99
    n-propyl acetate 143.44
    acetic acid 251.55
    dichloromethane 329.45
    cyclohexanone 312.42
    propylene glycol 141.59
    isopropyl acetate 151.09
    DMAc 443.67
    2-ethoxyethanol 227.87
    isopentanol 198.94
    n-heptane 11.6
    ethyl formate 275.45
    1,2-dichloroethane 258.57
    n-hexanol 234.75
    2-methoxyethanol 515.59
    isobutyl acetate 74.57
    tetrachloromethane 30.93
    n-pentyl acetate 96.67
    transcutol 330.86
    n-heptanol 103.65
    ethylbenzene 31.19
    MIBK 135.39
    2-propoxyethanol 354.81
    tert-butanol 491.3
    MTBE 292.83
    2-butoxyethanol 168.45
    propionic acid 256.0
    o-xylene 36.79
    formic acid 85.84
    diethyl ether 209.16
    m-xylene 43.17
    p-xylene 38.5
    chlorobenzene 79.8
    dimethyl carbonate 92.88
    n-octane 5.91
    formamide 280.0
    cyclopentanone 714.91
    2-pentanone 348.88
    anisole 104.29
    cyclopentyl methyl ether 181.53
    gamma-butyrolactone 749.61
    1-methoxy-2-propanol 380.97
    pyridine 238.44
    3-pentanone 199.19
    furfural 344.19
    n-dodecane 5.99
    diethylene glycol 224.24
    diisopropyl ether 45.4
    tert-amyl alcohol 324.81
    acetylacetone 285.83
    n-hexadecane 6.55
    acetophenone 96.61
    methyl propionate 291.21
    isopentyl acetate 175.1
    trichloroethylene 431.85
    n-nonanol 70.6
    cyclohexanol 110.31
    benzyl alcohol 88.79
    2-ethylhexanol 107.19
    isooctanol 77.04
    dipropyl ether 115.41
    1,2-dichlorobenzene 73.24
    ethyl lactate 72.72
    propylene carbonate 278.5
    n-methylformamide 499.96
    2-pentanol 152.39
    n-pentane 5.45
    1-propoxy-2-propanol 241.93
    1-methoxy-2-propyl acetate 193.09
    2-(2-methoxypropoxy) propanol 122.72
    mesitylene 28.0
    ε-caprolactone 259.04
    p-cymene 38.52
    epichlorohydrin 726.0
    1,1,1-trichloroethane 185.08
    2-aminoethanol 224.74
    morpholine-4-carbaldehyde 326.14
    sulfolane 553.91
    2,2,4-trimethylpentane 7.25
    2-methyltetrahydrofuran 489.71
    n-hexyl acetate 126.24
    isooctane 6.79
    2-(2-butoxyethoxy)ethanol 169.93
    sec-butyl acetate 82.01
    tert-butyl acetate 158.32
    decalin 6.33
    glycerin 158.59
    diglyme 300.36
    acrylic acid 176.54
    isopropyl myristate 49.31
    n-butyric acid 295.73
    acetyl acetate 132.3
    di(2-ethylhexyl) phthalate 50.57
    ethyl propionate 126.49
    nitromethane 641.75
    1,2-diethoxyethane 147.83
    benzonitrile 107.29
    trioctyl phosphate 44.83
    1-bromopropane 109.31
    gamma-valerolactone 551.68
    n-decanol 56.99
    triethyl phosphate 51.78
    4-methyl-2-pentanol 79.75
    propionitrile 284.98
    vinylene carbonate 199.46
    1,1,2-trichlorotrifluoroethane 238.08
    DMS 90.81
    cumene 28.52
    2-octanol 63.26
    2-hexanone 152.67
    octyl acetate 71.24
    limonene 54.87
    1,2-dimethoxyethane 317.78
    ethyl orthosilicate 49.27
    tributyl phosphate 46.2
    diacetone alcohol 234.9
    N,N-dimethylaniline 63.86
    acrylonitrile 348.08
    aniline 84.54
    1,3-propanediol 328.99
    bromobenzene 71.68
    dibromomethane 169.96
    1,1,2,2-tetrachloroethane 237.05
    2-methyl-cyclohexyl acetate 86.06
    tetrabutyl urea 62.34
    diisobutyl methanol 59.38
    2-phenylethanol 121.45
    styrene 32.65
    dioctyl adipate 71.19
    dimethyl sulfate 142.01
    ethyl butyrate 137.34
    methyl lactate 121.31
    butyl lactate 80.41
    diethyl carbonate 77.92
    propanediol butyl ether 128.31
    triethyl orthoformate 71.54
    p-tert-butyltoluene 41.5
    methyl 4-tert-butylbenzoate 108.44
    morpholine 513.07
    tert-butylamine 202.72
    n-dodecanol 43.91
    dimethoxymethane 341.12
    ethylene carbonate 161.42
    cyrene 123.54
    2-ethoxyethyl acetate 140.99
    2-ethylhexyl acetate 116.68
    1,2,4-trichlorobenzene 87.28
    4-methylpyridine 181.58
    dibutyl ether 62.05
    2,6-dimethyl-4-heptanol 59.38
    DEF 249.18
    dimethyl isosorbide 207.92
    tetrachloroethylene 132.88
    eugenol 102.15
    triacetin 98.06
    span 80 104.27
    1,4-butanediol 96.01
    1,1-dichloroethane 250.47
    2-methyl-1-pentanol 113.99
    methyl formate 353.46
    2-methyl-1-butanol 188.07
    n-decane 8.3
    butyronitrile 267.25
    3,7-dimethyl-1-octanol 75.98
    1-chlorooctane 41.19
    1-chlorotetradecane 18.07
    n-nonane 7.37
    undecane 7.04
    tert-butylcyclohexane 7.82
    cyclooctane 3.11
    cyclopentanol 219.24
    tetrahydropyran 322.23
    tert-amyl methyl ether 160.93
    2,5,8-trioxanonane 201.6
    1-hexene 26.25
    2-isopropoxyethanol 148.7
    2,2,2-trifluoroethanol 90.74
    methyl butyrate 178.58

    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