Tert-Butylhydroquinone

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  • Identifiers

    CAS number
    1948-33-0

    Molecular formula
    C10H14O2

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 80.97%
    Medicinal 51.1%
    Smoky 50.9%
    Leathery 49.98%
    Woody 47.08%
    Spicy 45.88%
    Dry 36.23%
    Burnt 35.98%
    Animal 33.14%
    Musty 25.24%

     

    Flavor
    Phenolic 67.19%
    Medicinal 44.11%
    Camphor 42.93%
    Bitter 33.15%
    Woody 30.96%
    Musty 29.83%
    Mild 29.8%
    Leather 29.7%
    Smoke 29.45%
    Spice 26.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    11.14 (strong base)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 261 to 264 °F (NTP, 1992)
    • 126.5-128.5 °C
    • 127 - 129 °C

    Boiling point

    • 563 °F at 760 mmHg (NTP, 1992)
    • 295 °C

    Flash point

    • 137.65 ˚C est.
    • 340 °F (NTP, 1992)
    • 171 °C (340 °F) - closed cup

    Solubility expt.

    • less than 1 mg/mL at 66 °F (NTP, 1992)
    • Practically insoluble in water; soluble in ethanol
    • Solubility: 5% in water at 95 °C, 5% in lard at 50 °C
    • In water, 2000 mg/L at 30 °C (Shake-flask method)
    • Solubility in fats and food-grade solvents is good
    • (at 25 °C): less than 1% in water, 60% in ethanol, 60% in ethyl acetate, 10% in glyceryl monooleate, 10% in cottonseed oil, 10% in corn oil, 10% in soybean oil, 30% in propylene glycol, 5% in safflower oil
    • Soluble in acetone, alcohol, ethyl acetate

  • Synonyms

    • tert-Butylhydroquinone
    • 1948-33-0
    • TBHQ
    • 2-tert-Butylhydroquinone
    • 2-tert-butylbenzene-1,4-diol
    • T-BUTYLHYDROQUINONE
    • MTBHQ
    • t-Butyl hydroquinone
    • 2-t-Butylhydroquinone
    • Mono-tert-butylhydroquinone
    • Sustane
    • 2-tert-Butyl-1,4-benzenediol
    • Mono-tertiarybutylhydroquinone
    • tert-Butyl-1,4-benzenediol
    • Tenox TBHQ
    • tertiary-Butylhydroquinone
    • Banox 20BA
    • Hydroquinone, tert-butyl-
    • 2-(1,1-Dimethylethyl)-1,4-benzenediol
    • 1,4-Benzenediol, 2-(1,1-dimethylethyl)-
    • 2-tert-Butyl(1,4)hydroquinone
    • 2-tertiary-butylhydroquinone
    • tert-Butylhydrochinone
    • t-BHQ
    • 2-(tert-butyl)benzene-1,4-diol
    • 2-t-Butyl-1,4-benzenediol
    • Hydroquinone, t-butyl-
    • Butylhydroquinone, tert-
    • Tertiary butylhydroquinone
    • NSC 4972
    • Tenox 20
    • MFCD00002344
    • monotertiary butyl hydroquinone
    • CCRIS 1447
    • HSDB 838
    • CHEBI:78886
    • 1,4-Benzenediol (1,1-dimethylethyl)-
    • NSC4972
    • Eastman MTBHQ
    • NSC-4972
    • EINECS 217-752-2
    • BRN 0637923
    • DTXSID6020220
    • AI3-61039
    • tert-butyl-hydroquinone
    • UNII-C12674942B
    • 2-(1,1-dimethylethyl)benzene-1,4-diol
    • DTXCID60220
    • BUTYLHYDROQUINONE,TERT-
    • INS NO.319
    • C12674942B
    • INS-319
    • EC 217-752-2
    • HYDROQUINONE,TERTIARY BUTYL
    • 2-tert-butyl-1,4-dihydroxybenzene
    • NCGC00013051-05
    • E319
    • E-319
    • TERT-BUTYLHYDROQUINONE (II)
    • TERT-BUTYLHYDROQUINONE [II]
    • 2-(tert-Butyl)benzene-1,4-diol(may occur to produce black solid)
    • EYK
    • TERTIARY BUTYLHYDROQUINONE (MART.)
    • TERTIARY BUTYLHYDROQUINONE [MART.]
    • CAS-1948-33-0
    • Butylhydroquinone, t-
    • tert-butyl hydroquinone
    • 2-(tert-Butyl)-p-hydroquinone
    • Sustane TBHQ
    • Tenox TBHO
    • Tenox TBHQTBHQ
    • TBHQ (Standard)
    • t-butyl-hydroquinone
    • tert-Butylhydroquinon
    • THBQ
    • 2-t-butyl hydroquinone
    • tert.-butyl hydroquinone
    • 2-tert-butyl-hydroquinone
    • TBHQ [FCC]
    • NCIStruc1_000241
    • NCIStruc2_000017
    • SCHEMBL26745
    • tert-Butylhydroquinone, 97%
    • MLS002222348
    • CHEMBL242080
    • NCI4972
    • WLN: QR DQ BX1&1&1
    • KUC109743N
    • T-BUTYLHYDROQUINONE [HSDB]
    • 1,4-dihydroxy-2-tert-butylbenzene
    • Tox21_110006
    • Tox21_110007
    • Tox21_202309
    • Tox21_300081
    • BDBM50065387
    • CCG-37948
    • NCGC00013051
    • s4990
    • STK372011
    • AKOS003627061
    • CS-5774
    • DB07726
    • FB40548
    • HY-100489R
    • 2-TERT-BUTYL-1,4-HYDROQUINONE
    • NCGC00013051-01
    • NCGC00013051-02
    • NCGC00013051-03
    • NCGC00013051-04
    • NCGC00013051-06
    • NCGC00013051-07
    • NCGC00013051-08
    • NCGC00013051-09
    • NCGC00013051-10
    • NCGC00090788-01
    • NCGC00090788-02
    • NCGC00090788-03
    • NCGC00090788-04
    • NCGC00254178-01
    • NCGC00259858-01
    • AC-10579
    • BS-15862
    • NCI60_004196
    • SMR001253806
    • SY001798
    • 2-(1,1-DIMETHYLETHYL)HYDROQUINONE
    • HYDROQUINONE,TERTIARY BUTYL [VANDF]
    • KSC-241-078-1

  • Applications

    Tert-Butylhydroquinone (CAS 1948-33-0) is widely used as an antioxidant and stabilizer across several sectors: in food processing as a preservative to retard fat oxidation; in polymers and plastics to improve thermal-oxidative stability during processing and in service; in coatings and printing inks to enhance oxidative durability of resins; in rubbers and elastomers to prevent degradation during processing and use; and in lubricants and petroleum products to inhibit oxidation during storage and operation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 223.44
    methanol 265.94
    isopropanol 238.57
    water 0.97
    ethyl acetate 198.08
    n-propanol 211.95
    acetone 342.14
    n-butanol 191.29
    acetonitrile 193.62
    DMF 367.45
    toluene 44.99
    isobutanol 161.2
    1,4-dioxane 328.79
    methyl acetate 210.43
    THF 1193.45
    2-butanone 294.29
    n-pentanol 148.44
    sec-butanol 204.88
    n-hexane 28.57
    ethylene glycol 63.45
    NMP 208.51
    cyclohexane 14.63
    DMSO 325.8
    n-butyl acetate 160.68
    n-octanol 136.73
    chloroform 170.59
    n-propyl acetate 110.74
    acetic acid 76.13
    dichloromethane 124.28
    cyclohexanone 224.42
    propylene glycol 95.46
    isopropyl acetate 133.94
    DMAc 223.49
    2-ethoxyethanol 171.32
    isopentanol 162.14
    n-heptane 28.49
    ethyl formate 125.37
    1,2-dichloroethane 121.47
    n-hexanol 315.79
    2-methoxyethanol 275.38
    isobutyl acetate 80.21
    tetrachloromethane 36.71
    n-pentyl acetate 94.45
    transcutol 167.03
    n-heptanol 141.45
    ethylbenzene 51.73
    MIBK 158.49
    2-propoxyethanol 360.09
    tert-butanol 339.11
    MTBE 258.93
    2-butoxyethanol 176.64
    propionic acid 110.16
    o-xylene 39.46
    formic acid 37.57
    diethyl ether 215.92
    m-xylene 57.18
    p-xylene 57.92
    chlorobenzene 58.2
    dimethyl carbonate 73.32
    n-octane 16.56
    formamide 56.54
    cyclopentanone 476.27
    2-pentanone 252.66
    anisole 120.81
    cyclopentyl methyl ether 278.4
    gamma-butyrolactone 428.77
    1-methoxy-2-propanol 286.38
    pyridine 115.43
    3-pentanone 152.03
    furfural 179.73
    n-dodecane 13.23
    diethylene glycol 207.46
    diisopropyl ether 78.87
    tert-amyl alcohol 255.17
    acetylacetone 202.08
    n-hexadecane 14.2
    acetophenone 88.24
    methyl propionate 172.05
    isopentyl acetate 143.98
    trichloroethylene 179.5
    n-nonanol 113.16
    cyclohexanol 120.51
    benzyl alcohol 72.05
    2-ethylhexanol 137.77
    isooctanol 103.26
    dipropyl ether 143.87
    1,2-dichlorobenzene 58.98
    ethyl lactate 73.06
    propylene carbonate 171.29
    n-methylformamide 161.62
    2-pentanol 168.32
    n-pentane 22.52
    1-propoxy-2-propanol 222.79
    1-methoxy-2-propyl acetate 161.02
    2-(2-methoxypropoxy) propanol 101.13
    mesitylene 40.04
    ε-caprolactone 175.5
    p-cymene 45.23
    epichlorohydrin 371.41
    1,1,1-trichloroethane 130.54
    2-aminoethanol 113.2
    morpholine-4-carbaldehyde 218.75
    sulfolane 371.01
    2,2,4-trimethylpentane 17.61
    2-methyltetrahydrofuran 457.08
    n-hexyl acetate 146.75
    isooctane 18.09
    2-(2-butoxyethoxy)ethanol 149.62
    sec-butyl acetate 85.04
    tert-butyl acetate 174.57
    decalin 15.88
    glycerin 101.87
    diglyme 232.92
    acrylic acid 73.27
    isopropyl myristate 61.94
    n-butyric acid 142.42
    acetyl acetate 89.17
    di(2-ethylhexyl) phthalate 47.64
    ethyl propionate 113.56
    nitromethane 193.82
    1,2-diethoxyethane 104.06
    benzonitrile 76.73
    trioctyl phosphate 49.84
    1-bromopropane 104.51
    gamma-valerolactone 344.51
    n-decanol 89.14
    triethyl phosphate 52.82
    4-methyl-2-pentanol 117.45
    propionitrile 183.7
    vinylene carbonate 112.47
    1,1,2-trichlorotrifluoroethane 146.19
    DMS 84.74
    cumene 45.82
    2-octanol 104.03
    2-hexanone 154.32
    octyl acetate 84.19
    limonene 62.13
    1,2-dimethoxyethane 307.82
    ethyl orthosilicate 50.87
    tributyl phosphate 48.34
    diacetone alcohol 215.13
    N,N-dimethylaniline 82.5
    acrylonitrile 169.69
    aniline 60.76
    1,3-propanediol 147.81
    bromobenzene 52.63
    dibromomethane 100.8
    1,1,2,2-tetrachloroethane 167.38
    2-methyl-cyclohexyl acetate 89.18
    tetrabutyl urea 64.59
    diisobutyl methanol 81.1
    2-phenylethanol 124.77
    styrene 44.41
    dioctyl adipate 62.54
    dimethyl sulfate 116.39
    ethyl butyrate 104.17
    methyl lactate 96.03
    butyl lactate 76.03
    diethyl carbonate 59.75
    propanediol butyl ether 121.41
    triethyl orthoformate 63.13
    p-tert-butyltoluene 52.54
    methyl 4-tert-butylbenzoate 109.15
    morpholine 333.33
    tert-butylamine 194.39
    n-dodecanol 69.16
    dimethoxymethane 280.54
    ethylene carbonate 101.14
    cyrene 114.99
    2-ethoxyethyl acetate 94.38
    2-ethylhexyl acetate 102.42
    1,2,4-trichlorobenzene 65.6
    4-methylpyridine 119.9
    dibutyl ether 93.18
    2,6-dimethyl-4-heptanol 81.1
    DEF 153.5
    dimethyl isosorbide 198.65
    tetrachloroethylene 93.9
    eugenol 104.48
    triacetin 78.82
    span 80 99.88
    1,4-butanediol 71.87
    1,1-dichloroethane 146.78
    2-methyl-1-pentanol 115.5
    methyl formate 137.94
    2-methyl-1-butanol 141.1
    n-decane 22.43
    butyronitrile 191.4
    3,7-dimethyl-1-octanol 104.63
    1-chlorooctane 79.59
    1-chlorotetradecane 30.59
    n-nonane 22.11
    undecane 16.85
    tert-butylcyclohexane 22.91
    cyclooctane 9.18
    cyclopentanol 199.7
    tetrahydropyran 325.17
    tert-amyl methyl ether 184.41
    2,5,8-trioxanonane 152.62
    1-hexene 93.66
    2-isopropoxyethanol 139.41
    2,2,2-trifluoroethanol 41.11
    methyl butyrate 137.74

    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