p-tert-Butyl catechol

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  • Identifiers

    CAS number
    98-29-3

    Molecular formula
    C10H14O2

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

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 79.78%
    Smoky 51.03%
    Spicy 47.38%
    Medicinal 44.0%
    Woody 40.11%
    Burnt 39.47%
    Leathery 38.19%
    Dry 32.93%
    Animal 25.12%
    Balsamic 23.24%

     

    Flavor
    Phenolic 67.43%
    Medicinal 48.86%
    Camphor 41.98%
    Woody 38.23%
    Spice 34.76%
    Smoke 31.28%
    Spicy 30.71%
    Smoky 30.36%
    Leather 29.98%
    Bitter 28.61%

     

    Odor impact est.
    Medium

    Odor threshold

    • Odor Threshold = 1.0 mg/l (detection)

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    10.24 (weak base)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    286°C

    Flash point

    • 133.3 ˚C est.
    • 130 °C

  • Synonyms

    • 4-tert-Butylcatechol
    • 98-29-3
    • p-tert-Butylcatechol
    • 4-(tert-butyl)benzene-1,2-diol
    • 4-tert-Butylpyrocatechol
    • 4-tert-butylbenzene-1,2-diol
    • p-tert-Butyl catechol
    • 4-t-Butylpyrocatechol
    • p-tert-Butylpyrocatechol
    • 4-tert-Butylcatechin
    • p-t-Butylpyrocatechol
    • 4-T-BUTYLCATECHOL
    • 1,2-Benzenediol, 4-(1,1-dimethylethyl)-
    • Synox TBC
    • Pyrocatechol, 4-tert-butyl-
    • 4-tert-Butyl-1,2-benzenediol
    • 4-TBC
    • 1,2-Dihydroxy-4-tert-butylbenzene
    • 4-tert-Butyl-1,2-dihydroxybenzene
    • 4-tert-butyl catechol
    • 4-tert-Butylpyrokatechin
    • NSC 5310
    • CCRIS 3332
    • 4-tert-Butylpyrokatechin [Czech]
    • EINECS 202-653-9
    • BRN 2043335
    • DTXSID5024687
    • AI3-24363
    • NSC-5310
    • 9A069144KR
    • DTXCID804687
    • BUTYL CATECHOL, P-TERT-
    • EC 202-653-9
    • 4-06-00-06014 (Beilstein Handbook Reference)
    • NCGC00091483-03
    • para-tert-butyl catechol
    • 4-tert-Butyl-pyrocatechol
    • CAS-98-29-3
    • 4-tertiary butyl catechol
    • MFCD00002201
    • 4tButylcatechol
    • ptertButylcatechol
    • UNII-9A069144KR
    • 4tertButylcatechin
    • 4tertButylcatechol
    • ptButylpyrocatechol
    • p-tertbutylcatechol
    • 4tButylpyrocatechol
    • 4-tertbutylcatechol
    • diallyl butanedioate
    • p-t-butyl catechol
    • 4- t-Butylcatechol
    • ptertButylpyrocatechol
    • 4tertButylpyrocatechol
    • 4tertButylpyrokatechin
    • 4-tert-butylcathechol
    • p-tert.-butylcatechol
    • 4-(1,1-Dimethylethyl)-1,2-benzenediol
    • 4k7o
    • 4-tert.-butyl-catechol
    • 4-tertiarybutyl catechol
    • Pyrocatechol, 4tertbutyl
    • 4tertButyl1,2benzenediol
    • 4-tert-Butylcatechol;TBC
    • 4-(tert-butyl)pyrocatechol
    • 4-(tertbutyl)-pyrocatechol
    • 4-tert.-butyl pyrocatechol
    • 4-(tert-butyl)-pyrocatechol
    • SCHEMBL50705
    • 4-t-Butyl-1,2-benzenediol
    • 1,2Dihydroxy4tertbutylbenzene
    • 4tertButyl1,2dihydroxybenzene
    • MLS001065578
    • BIDD:ER0238
    • 4-tert-Butylpyrocatechol(TBC)
    • CHEMBL220845
    • 4-(1,1-Dimethylethyl)catechol
    • 1, 4-(1,1-dimethylethyl)-
    • NSC5310
    • 4-tert-Butylcatechol, >=99.0%
    • Tox21_202989
    • Tox21_400003
    • BBL011511
    • STL146627
    • AKOS000119685
    • 1,2Benzenediol, 4(1,1dimethylethyl)
    • CS-W017861
    • FB62985
    • NCGC00091483-01
    • NCGC00091483-02
    • NCGC00091483-04
    • NCGC00091483-05
    • NCGC00260534-01
    • WLN: QR BQ DX1 & 1 & 1
    • 4-tert-Butylcatechol (CAS 98-29-3)
    • AC-10567
    • BP-30171
    • SMR000568493
    • VS-02966
    • 4-tert-Butylcatechol, >=98.0% (HPLC)
    • DB-057718
    • B0739
    • NS00006528
    • EN300-19909
    • D77815
    • Q840843
    • 4-tert-Butylcatechol, SAJ first grade, >=98.0%
    • 4-tert-Butylcatechol, technical, flakes, >=98% (HPLC)
    • F1995-0233
    • Z104476062
    • 4-(1,1-Dimethylethyl)-1,2-benzenediol; 4-tert-Butylpyrocatechol; PTBC; TBC
    • InChI=1/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H

  • Applications

    p-tert-Butyl catechol (CAS 98-29-3) is used primarily as a chemical intermediate and stabilizing agent in industrial formulations. In polymer and coating applications, it acts as an antioxidant/radical scavenger to improve thermal and oxidative stability. It is also employed as a precursor for the synthesis of specialty chemicals, resins, and catechol derivatives used in colorants and formulated additives. Additionally, it may function as a metal-chelating agent in formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 253.61
    methanol 149.91
    isopropanol 237.58
    water 0.83
    ethyl acetate 237.94
    n-propanol 228.69
    acetone 393.58
    n-butanol 184.51
    acetonitrile 248.51
    DMF 446.35
    toluene 32.78
    isobutanol 158.09
    1,4-dioxane 238.69
    methyl acetate 249.85
    THF 763.18
    2-butanone 335.75
    n-pentanol 90.92
    sec-butanol 178.22
    n-hexane 4.87
    ethylene glycol 60.42
    NMP 305.15
    cyclohexane 5.94
    DMSO 308.76
    n-butyl acetate 154.55
    n-octanol 73.9
    chloroform 124.15
    n-propyl acetate 101.2
    acetic acid 133.46
    dichloromethane 146.97
    cyclohexanone 234.74
    propylene glycol 124.5
    isopropyl acetate 124.4
    DMAc 332.45
    2-ethoxyethanol 146.19
    isopentanol 130.85
    n-heptane 13.33
    ethyl formate 158.46
    1,2-dichloroethane 118.56
    n-hexanol 186.5
    2-methoxyethanol 327.78
    isobutyl acetate 62.64
    tetrachloromethane 23.07
    n-pentyl acetate 74.64
    transcutol 198.32
    n-heptanol 93.82
    ethylbenzene 29.89
    MIBK 118.67
    2-propoxyethanol 287.37
    tert-butanol 349.15
    MTBE 201.7
    2-butoxyethanol 138.87
    propionic acid 145.72
    o-xylene 31.42
    formic acid 54.41
    diethyl ether 121.17
    m-xylene 39.97
    p-xylene 38.59
    chlorobenzene 52.09
    dimethyl carbonate 80.0
    n-octane 6.51
    formamide 144.62
    cyclopentanone 545.08
    2-pentanone 245.82
    anisole 94.19
    cyclopentyl methyl ether 153.69
    gamma-butyrolactone 535.08
    1-methoxy-2-propanol 304.35
    pyridine 141.24
    3-pentanone 135.94
    furfural 244.3
    n-dodecane 6.19
    diethylene glycol 172.47
    diisopropyl ether 36.84
    tert-amyl alcohol 240.23
    acetylacetone 225.07
    n-hexadecane 6.66
    acetophenone 87.78
    methyl propionate 200.24
    isopentyl acetate 143.55
    trichloroethylene 198.15
    n-nonanol 66.19
    cyclohexanol 82.05
    benzyl alcohol 67.82
    2-ethylhexanol 97.64
    isooctanol 70.48
    dipropyl ether 96.93
    1,2-dichlorobenzene 53.01
    ethyl lactate 67.52
    propylene carbonate 233.3
    n-methylformamide 250.21
    2-pentanol 112.26
    n-pentane 5.94
    1-propoxy-2-propanol 197.71
    1-methoxy-2-propyl acetate 182.01
    2-(2-methoxypropoxy) propanol 114.6
    mesitylene 26.5
    ε-caprolactone 184.51
    p-cymene 39.62
    epichlorohydrin 443.39
    1,1,1-trichloroethane 116.84
    2-aminoethanol 140.35
    morpholine-4-carbaldehyde 255.0
    sulfolane 433.77
    2,2,4-trimethylpentane 7.85
    2-methyltetrahydrofuran 347.48
    n-hexyl acetate 105.98
    isooctane 7.11
    2-(2-butoxyethoxy)ethanol 136.57
    sec-butyl acetate 71.02
    tert-butyl acetate 153.28
    decalin 6.55
    glycerin 127.72
    diglyme 210.0
    acrylic acid 101.26
    isopropyl myristate 49.46
    n-butyric acid 183.47
    acetyl acetate 101.95
    di(2-ethylhexyl) phthalate 48.5
    ethyl propionate 99.85
    nitromethane 344.47
    1,2-diethoxyethane 91.35
    benzonitrile 78.63
    trioctyl phosphate 45.75
    1-bromopropane 70.15
    gamma-valerolactone 416.78
    n-decanol 54.5
    triethyl phosphate 52.35
    4-methyl-2-pentanol 71.14
    propionitrile 188.77
    vinylene carbonate 149.73
    1,1,2-trichlorotrifluoroethane 168.59
    DMS 78.42
    cumene 28.08
    2-octanol 57.67
    2-hexanone 118.29
    octyl acetate 70.31
    limonene 53.46
    1,2-dimethoxyethane 217.61
    ethyl orthosilicate 48.59
    tributyl phosphate 43.94
    diacetone alcohol 229.14
    N,N-dimethylaniline 65.66
    acrylonitrile 207.59
    aniline 62.71
    1,3-propanediol 187.09
    bromobenzene 46.14
    dibromomethane 84.73
    1,1,2,2-tetrachloroethane 139.56
    2-methyl-cyclohexyl acetate 90.44
    tetrabutyl urea 60.24
    diisobutyl methanol 57.16
    2-phenylethanol 103.76
    styrene 28.85
    dioctyl adipate 68.06
    dimethyl sulfate 126.37
    ethyl butyrate 112.49
    methyl lactate 114.89
    butyl lactate 66.29
    diethyl carbonate 72.2
    propanediol butyl ether 105.4
    triethyl orthoformate 64.64
    p-tert-butyltoluene 46.49
    methyl 4-tert-butylbenzoate 109.36
    morpholine 304.81
    tert-butylamine 160.47
    n-dodecanol 42.38
    dimethoxymethane 243.77
    ethylene carbonate 120.91
    cyrene 124.25
    2-ethoxyethyl acetate 95.48
    2-ethylhexyl acetate 101.29
    1,2,4-trichlorobenzene 64.26
    4-methylpyridine 132.59
    dibutyl ether 52.2
    2,6-dimethyl-4-heptanol 57.16
    DEF 166.62
    dimethyl isosorbide 213.36
    tetrachloroethylene 74.13
    eugenol 95.88
    triacetin 87.1
    span 80 95.82
    1,4-butanediol 63.58
    1,1-dichloroethane 137.78
    2-methyl-1-pentanol 76.7
    methyl formate 187.76
    2-methyl-1-butanol 123.99
    n-decane 9.01
    butyronitrile 187.55
    3,7-dimethyl-1-octanol 72.4
    1-chlorooctane 38.73
    1-chlorotetradecane 17.3
    n-nonane 7.97
    undecane 7.45
    tert-butylcyclohexane 9.15
    cyclooctane 3.37
    cyclopentanol 165.01
    tetrahydropyran 198.72
    tert-amyl methyl ether 127.46
    2,5,8-trioxanonane 160.78
    1-hexene 24.52
    2-isopropoxyethanol 106.38
    2,2,2-trifluoroethanol 60.38
    methyl butyrate 129.44

    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