3-Isopropylcatechol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2138-48-9

    Molecular formula
    C9H12O2

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 87.36%
    Smoky 68.22%
    Spicy 62.22%
    Medicinal 59.19%
    Burnt 51.31%
    Woody 47.78%
    Leathery 37.84%
    Balsamic 27.61%
    Dry 25.73%
    Vanilla 25.08%

     

    Flavor
    Phenolic 69.48%
    Medicinal 57.05%
    Spicy 40.78%
    Spice 38.01%
    Smoky 36.0%
    Woody 35.51%
    Smoke 33.34%
    Camphor 32.2%
    Phenol 30.56%
    Mild 30.05%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    11.49 (strong base)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 128.06 ˚C est.

  • Synonyms

    • 3-isopropylbenzene-1,2-diol
    • 3-ISOPROPYLCATECHOL
    • 2138-48-9
    • 3-Isopropylpyrocatechol
    • 1,2-Benzenediol, 3-(1-methylethyl)-
    • 3-(1-Methylethyl)-1,2-benzenediol
    • Pyrocatechol, 3-isopropyl-
    • 1,2-dihydroxy-3-isopropyl benzene
    • EINECS 218-385-0
    • NSC 62675
    • NSC-62675
    • SOV0198261
    • BRN 2043545
    • UNII-SOV0198261
    • CHEBI:28708
    • DTXSID80175644
    • 3-isopropyl-, 1,2-benzenediol, 3-(1-methylethyl)-
    • RefChem:94503
    • DTXCID5098135
    • 1,2-Benzenediol, 3-(1-methylethyl)-(9CI)
    • 3-propan-2-ylbenzene-1,2-diol
    • MFCD00016434
    • 3-(propan-2-yl)benzene-1,2-diol
    • 3-(1-Methylethyl)-1,2-benzenediol; 3-Isopropylpyrocatechol; 1,2-Dihydroxy-3-isopropylbenzene; 3-Isopropyl-1,2-dihydroxybenzene; 3-Isopropylbenzene-1,2-diol; NSC 62675
    • 1,2-Benzenediol, (1-methylethyl)-
    • C01014
    • SCHEMBL301445
    • SCHEMBL31658451
    • NSC62675
    • 3-Isopropylbenzene-1 pound not2-diol
    • AKOS006283564
    • DS-4364
    • FI71113
    • HY-W101666
    • AC-22653
    • SY115808
    • DB-066496
    • CS-0154308
    • NS00026854
    • D71222
    • EN300-1599498
    • F237892
    • Q27103849
    • 2138-48-9

  • Applications

    3-Isopropylcatechol (CAS 2138-48-9) is primarily used as an organic synthesis intermediate and building block for specialty chemicals. In industrial manufacturing, it serves as a precursor to catechol-based derivatives such as dyes and pigment components, and as a starting material for pharmaceutical and agrochemical intermediates. In polymer and coatings formulations, the catechol functionality supports metal chelation and can contribute to antioxidant and stabilization performance in polymers and coatings. It may also be evaluated as a fragrance-related intermediate in perfumery applications, and as a precursor in research efforts to develop chelating agents or metal-binding chemistries, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1006.69
    methanol 1112.17
    isopropanol 707.19
    water 2.77
    ethyl acetate 588.11
    n-propanol 698.02
    acetone 1374.54
    n-butanol 446.6
    acetonitrile 1057.77
    DMF 1028.54
    toluene 82.36
    isobutanol 401.14
    1,4-dioxane 1740.89
    methyl acetate 771.95
    THF 2489.25
    2-butanone 802.68
    n-pentanol 328.73
    sec-butanol 442.33
    n-hexane 32.96
    ethylene glycol 212.58
    NMP 575.88
    cyclohexane 27.46
    DMSO 1797.57
    n-butyl acetate 416.49
    n-octanol 201.56
    chloroform 553.84
    n-propyl acetate 380.87
    acetic acid 457.81
    dichloromethane 560.85
    cyclohexanone 681.84
    propylene glycol 184.67
    isopropyl acetate 279.66
    DMAc 353.33
    2-ethoxyethanol 544.53
    isopentanol 291.11
    n-heptane 28.36
    ethyl formate 442.58
    1,2-dichloroethane 598.5
    n-hexanol 422.66
    2-methoxyethanol 863.84
    isobutyl acetate 197.36
    tetrachloromethane 98.03
    n-pentyl acetate 217.51
    transcutol 670.35
    n-heptanol 217.81
    ethylbenzene 77.42
    MIBK 284.16
    2-propoxyethanol 633.96
    tert-butanol 722.1
    MTBE 590.25
    2-butoxyethanol 332.22
    propionic acid 417.95
    o-xylene 70.05
    formic acid 227.34
    diethyl ether 645.71
    m-xylene 86.06
    p-xylene 91.35
    chlorobenzene 183.04
    dimethyl carbonate 156.88
    n-octane 20.68
    formamide 460.29
    cyclopentanone 1222.04
    2-pentanone 564.49
    anisole 218.9
    cyclopentyl methyl ether 518.68
    gamma-butyrolactone 1365.85
    1-methoxy-2-propanol 532.86
    pyridine 431.1
    3-pentanone 323.96
    furfural 600.44
    n-dodecane 17.37
    diethylene glycol 455.13
    diisopropyl ether 141.28
    tert-amyl alcohol 434.89
    acetylacetone 483.27
    n-hexadecane 19.72
    acetophenone 173.5
    methyl propionate 432.28
    isopentyl acetate 308.84
    trichloroethylene 786.97
    n-nonanol 167.39
    cyclohexanol 245.08
    benzyl alcohol 155.71
    2-ethylhexanol 182.61
    isooctanol 169.41
    dipropyl ether 227.86
    1,2-dichlorobenzene 152.4
    ethyl lactate 136.78
    propylene carbonate 469.01
    n-methylformamide 825.57
    2-pentanol 276.83
    n-pentane 26.41
    1-propoxy-2-propanol 360.2
    1-methoxy-2-propyl acetate 302.31
    2-(2-methoxypropoxy) propanol 184.5
    mesitylene 64.27
    ε-caprolactone 501.07
    p-cymene 59.49
    epichlorohydrin 1424.98
    1,1,1-trichloroethane 407.93
    2-aminoethanol 359.75
    morpholine-4-carbaldehyde 626.5
    sulfolane 1262.24
    2,2,4-trimethylpentane 22.17
    2-methyltetrahydrofuran 1058.83
    n-hexyl acetate 301.56
    isooctane 25.16
    2-(2-butoxyethoxy)ethanol 324.58
    sec-butyl acetate 184.46
    tert-butyl acetate 333.55
    decalin 21.98
    glycerin 220.66
    diglyme 547.39
    acrylic acid 298.4
    isopropyl myristate 105.56
    n-butyric acid 448.17
    acetyl acetate 212.43
    di(2-ethylhexyl) phthalate 79.5
    ethyl propionate 244.95
    nitromethane 1230.95
    1,2-diethoxyethane 350.61
    benzonitrile 213.69
    trioctyl phosphate 86.64
    1-bromopropane 292.67
    gamma-valerolactone 1055.95
    n-decanol 130.35
    triethyl phosphate 84.71
    4-methyl-2-pentanol 156.51
    propionitrile 574.65
    vinylene carbonate 362.19
    1,1,2-trichlorotrifluoroethane 400.13
    DMS 175.84
    cumene 62.17
    2-octanol 157.22
    2-hexanone 373.96
    octyl acetate 150.13
    limonene 87.55
    1,2-dimethoxyethane 866.55
    ethyl orthosilicate 80.76
    tributyl phosphate 83.47
    diacetone alcohol 348.47
    N,N-dimethylaniline 116.15
    acrylonitrile 665.89
    aniline 158.3
    1,3-propanediol 487.04
    bromobenzene 163.65
    dibromomethane 379.61
    1,1,2,2-tetrachloroethane 558.66
    2-methyl-cyclohexyl acetate 144.6
    tetrabutyl urea 103.52
    diisobutyl methanol 110.21
    2-phenylethanol 201.21
    styrene 84.81
    dioctyl adipate 117.22
    dimethyl sulfate 272.81
    ethyl butyrate 218.56
    methyl lactate 175.73
    butyl lactate 141.48
    diethyl carbonate 123.53
    propanediol butyl ether 235.06
    triethyl orthoformate 120.92
    p-tert-butyltoluene 66.88
    methyl 4-tert-butylbenzoate 176.31
    morpholine 1413.85
    tert-butylamine 332.31
    n-dodecanol 98.43
    dimethoxymethane 706.0
    ethylene carbonate 329.52
    cyrene 178.84
    2-ethoxyethyl acetate 265.98
    2-ethylhexyl acetate 211.13
    1,2,4-trichlorobenzene 167.12
    4-methylpyridine 341.98
    dibutyl ether 169.74
    2,6-dimethyl-4-heptanol 110.21
    DEF 370.99
    dimethyl isosorbide 329.48
    tetrachloroethylene 362.23
    eugenol 183.33
    triacetin 156.69
    span 80 167.98
    1,4-butanediol 207.84
    1,1-dichloroethane 559.28
    2-methyl-1-pentanol 219.77
    methyl formate 699.19
    2-methyl-1-butanol 275.96
    n-decane 29.84
    butyronitrile 472.4
    3,7-dimethyl-1-octanol 139.7
    1-chlorooctane 119.26
    1-chlorotetradecane 47.15
    n-nonane 29.32
    undecane 22.39
    tert-butylcyclohexane 28.52
    cyclooctane 13.46
    cyclopentanol 442.61
    tetrahydropyran 1080.5
    tert-amyl methyl ether 283.78
    2,5,8-trioxanonane 331.71
    1-hexene 141.1
    2-isopropoxyethanol 354.84
    2,2,2-trifluoroethanol 172.02
    methyl butyrate 353.74

    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