tert-Butylcatechol

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  • Identifiers

    CAS number
    27213-78-1

    Molecular formula
    C10H14O2

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 82.76%
    Smoky 57.32%
    Medicinal 49.64%
    Spicy 48.55%
    Woody 45.74%
    Leathery 44.41%
    Burnt 43.09%
    Dry 34.22%
    Animal 26.77%
    Balsamic 24.99%

     

    Flavor
    Phenolic 73.21%
    Medicinal 51.23%
    Camphor 43.18%
    Smoke 35.14%
    Woody 34.51%
    Smoky 34.32%
    Spice 33.57%
    Leather 30.92%
    Mild 30.57%
    Bacon 30.35%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    11.17 (strong base)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    288°C

    Flash point

    • 129.37 ˚C est.

  • Synonyms

    • tert-Butylcatechol
    • 27213-78-1
    • 1,2-Benzenediol, (1,1-dimethylethyl)-
    • 06J124VX0O
    • RefChem:896547
    • 3-(tert-Butyl)benzene-1,2-diol
    • 4026-05-5
    • 3-tert-butylbenzene-1,2-diol
    • 3-tert-Butylpyrocatechol
    • 3-tert-butylcatechol
    • tert-Butylpyrocatechol
    • t-butylcatechol
    • MFCD00515124
    • t-butylpyrocatechol
    • 3-(tert-Butyl)-1,2-benzenediol
    • tert-butyl catechol
    • tert.-butylcatechol
    • 29863-27-2
    • SCHEMBL36109
    • UNII-06J124VX0O
    • 47F26P1WUE
    • SCHEMBL9187503
    • SCHEMBL30504750
    • DTXSID201367483
    • EINECS 223-695-4
    • EINECS 248-325-9
    • PYROCATECHOL, 3-TERT-BUTYL-
    • AKOS016005287
    • CS-W006764
    • 3-(1,1-Dimethylethyl)-1,2-benzenediol
    • AS-58276
    • DA-07446
    • SY104770
    • DB-338978
    • 1,2-Benzenediol, 3-(1,1-dimethylethyl)-
    • NS00049221
    • W17828
    • EN300-1599500
    • Q27259050
    • 27213-78-1

  • Applications

    tert-Butylcatechol (CAS 27213-78-1) is primarily used as an oxidation-stabilizing antioxidant in industrial polymers and coatings, helping to retard degradation during processing and service in polyolefins, polyurethanes and related plastics. It is also used as a rubber/elastomer antioxidant and processing stabilizer, as well as a stabilizer in coatings, inks and adhesives formulations to improve shelf life and performance. In lubricants and petroleum products, it can serve as an antioxidant additive to inhibit aging. Additionally, it is valued as an intermediate in organic synthesis for the preparation of other antioxidants and specialty chemicals. Therefore, it may be evaluated for other formulations where phenolic stabilization is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 348.83
    methanol 386.01
    isopropanol 329.71
    water 1.67
    ethyl acetate 287.83
    n-propanol 299.6
    acetone 515.72
    n-butanol 238.55
    acetonitrile 357.07
    DMF 437.47
    toluene 64.76
    isobutanol 209.96
    1,4-dioxane 595.96
    methyl acetate 329.24
    THF 1495.92
    2-butanone 395.65
    n-pentanol 178.65
    sec-butanol 255.71
    n-hexane 36.07
    ethylene glycol 99.16
    NMP 297.92
    cyclohexane 26.6
    DMSO 478.83
    n-butyl acetate 225.12
    n-octanol 170.08
    chloroform 297.25
    n-propyl acetate 166.26
    acetic acid 159.07
    dichloromethane 232.56
    cyclohexanone 340.35
    propylene glycol 122.36
    isopropyl acetate 178.24
    DMAc 239.03
    2-ethoxyethanol 251.31
    isopentanol 180.85
    n-heptane 36.42
    ethyl formate 205.03
    1,2-dichloroethane 227.39
    n-hexanol 349.06
    2-methoxyethanol 399.42
    isobutyl acetate 109.66
    tetrachloromethane 60.66
    n-pentyl acetate 131.51
    transcutol 274.43
    n-heptanol 184.38
    ethylbenzene 69.19
    MIBK 202.64
    2-propoxyethanol 434.75
    tert-butanol 407.39
    MTBE 350.52
    2-butoxyethanol 235.51
    propionic acid 181.7
    o-xylene 58.26
    formic acid 80.6
    diethyl ether 325.85
    m-xylene 78.55
    p-xylene 77.96
    chlorobenzene 100.84
    dimethyl carbonate 102.7
    n-octane 21.81
    formamide 125.34
    cyclopentanone 669.35
    2-pentanone 331.86
    anisole 154.47
    cyclopentyl methyl ether 355.33
    gamma-butyrolactone 698.53
    1-methoxy-2-propanol 346.56
    pyridine 197.48
    3-pentanone 199.14
    furfural 302.23
    n-dodecane 17.27
    diethylene glycol 268.95
    diisopropyl ether 104.1
    tert-amyl alcohol 294.93
    acetylacetone 276.54
    n-hexadecane 18.73
    acetophenone 120.07
    methyl propionate 232.5
    isopentyl acetate 200.36
    trichloroethylene 333.09
    n-nonanol 141.75
    cyclohexanol 165.53
    benzyl alcohol 98.46
    2-ethylhexanol 160.07
    isooctanol 136.89
    dipropyl ether 179.87
    1,2-dichlorobenzene 96.06
    ethyl lactate 95.67
    propylene carbonate 273.75
    n-methylformamide 274.8
    2-pentanol 191.47
    n-pentane 30.37
    1-propoxy-2-propanol 275.16
    1-methoxy-2-propyl acetate 210.33
    2-(2-methoxypropoxy) propanol 133.92
    mesitylene 57.46
    ε-caprolactone 265.39
    p-cymene 60.22
    epichlorohydrin 586.78
    1,1,1-trichloroethane 218.55
    2-aminoethanol 162.83
    morpholine-4-carbaldehyde 313.49
    sulfolane 595.98
    2,2,4-trimethylpentane 24.26
    2-methyltetrahydrofuran 620.74
    n-hexyl acetate 197.7
    isooctane 25.7
    2-(2-butoxyethoxy)ethanol 210.09
    sec-butyl acetate 113.38
    tert-butyl acetate 239.83
    decalin 21.78
    glycerin 138.38
    diglyme 330.42
    acrylic acid 130.63
    isopropyl myristate 84.23
    n-butyric acid 222.18
    acetyl acetate 130.11
    di(2-ethylhexyl) phthalate 63.79
    ethyl propionate 149.18
    nitromethane 374.25
    1,2-diethoxyethane 167.03
    benzonitrile 115.34
    trioctyl phosphate 66.2
    1-bromopropane 159.19
    gamma-valerolactone 529.35
    n-decanol 109.83
    triethyl phosphate 65.93
    4-methyl-2-pentanol 134.99
    propionitrile 282.63
    vinylene carbonate 185.26
    1,1,2-trichlorotrifluoroethane 219.94
    DMS 118.82
    cumene 59.4
    2-octanol 134.1
    2-hexanone 196.13
    octyl acetate 112.03
    limonene 81.16
    1,2-dimethoxyethane 416.51
    ethyl orthosilicate 64.6
    tributyl phosphate 59.71
    diacetone alcohol 272.63
    N,N-dimethylaniline 102.06
    acrylonitrile 279.04
    aniline 90.04
    1,3-propanediol 211.14
    bromobenzene 93.31
    dibromomethane 172.6
    1,1,2,2-tetrachloroethane 275.3
    2-methyl-cyclohexyl acetate 120.61
    tetrabutyl urea 79.1
    diisobutyl methanol 100.83
    2-phenylethanol 156.31
    styrene 61.75
    dioctyl adipate 88.31
    dimethyl sulfate 166.07
    ethyl butyrate 146.47
    methyl lactate 124.43
    butyl lactate 100.2
    diethyl carbonate 82.77
    propanediol butyl ether 168.85
    triethyl orthoformate 88.24
    p-tert-butyltoluene 69.79
    methyl 4-tert-butylbenzoate 150.5
    morpholine 571.38
    tert-butylamine 236.96
    n-dodecanol 84.19
    dimethoxymethane 352.31
    ethylene carbonate 165.52
    cyrene 143.91
    2-ethoxyethyl acetate 140.79
    2-ethylhexyl acetate 137.32
    1,2,4-trichlorobenzene 102.53
    4-methylpyridine 173.24
    dibutyl ether 118.71
    2,6-dimethyl-4-heptanol 100.83
    DEF 198.99
    dimethyl isosorbide 252.16
    tetrachloroethylene 169.83
    eugenol 141.44
    triacetin 106.89
    span 80 131.53
    1,4-butanediol 102.75
    1,1-dichloroethane 257.25
    2-methyl-1-pentanol 138.95
    methyl formate 244.62
    2-methyl-1-butanol 164.47
    n-decane 28.71
    butyronitrile 270.69
    3,7-dimethyl-1-octanol 121.46
    1-chlorooctane 103.84
    1-chlorotetradecane 40.25
    n-nonane 28.32
    undecane 22.02
    tert-butylcyclohexane 29.59
    cyclooctane 15.35
    cyclopentanol 273.6
    tetrahydropyran 490.35
    tert-amyl methyl ether 219.91
    2,5,8-trioxanonane 209.29
    1-hexene 107.78
    2-isopropoxyethanol 186.58
    2,2,2-trifluoroethanol 76.49
    methyl butyrate 186.72

    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