2,4-Di-tert-butylphenol

  • Identifiers

    CAS number
    96-76-4

    Molecular formula
    C14H22O

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 63.83%
    Leathery 53.66%
    Woody 48.41%
    Medicinal 39.72%
    Dry 38.72%
    Spicy 38.7%
    Camphoreous 38.22%
    Smoky 37.54%
    Burnt 33.47%
    Animal 32.15%

     

    Flavor
    Phenolic 46.34%
    Camphor 43.33%
    Musty 35.62%
    Mild 29.79%
    Woody 27.76%
    Leather 27.26%
    Medicinal 26.17%
    Creosote 22.84%
    Spice 21.92%
    Thymol 21.81%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.85 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 56.5 °C

    Boiling point

    • 263.5 °C
    • 263.00 to 264.00 °C. @ 760.00 mm Hg

    Flash point

    • 123.04 ˚C est.

    Solubility expt.

    • In water, 35 mg/L at 25 °C
    • Slightly soluble in carbon tetrachloride; insoluble in alkali
    • 0.035 mg/mL at 25 °C

  • Synonyms

    • 2,4-Di-tert-butylphenol
    • 96-76-4
    • 2,4-DI-T-BUTYLPHENOL
    • Antioxidant No. 33
    • Prodox 146
    • 1-Hydroxy-2,4-di-tert-butylbenzene
    • Phenol, 2,4-di-tert-butyl-
    • 2,4-ditert-butylphenol
    • Phenol, 2,4-bis(1,1-dimethylethyl)-
    • 2,4-bis(tert-butyl)phenol
    • Prodox 146A-85X
    • 2,4-Di-tert-butyl-phenol
    • 2,4-tert-butylphenol
    • 2,4-Bis(1,1-dimethylethyl)phenol
    • MFCD00008828
    • NSC 174502
    • UNII-FOB94G6HZT
    • FOB94G6HZT
    • EINECS 202-532-0
    • Phenol, 2,4-di(1,1-dimethylethyl)-
    • BRN 1910383
    • 2,4-DTBP
    • DTXSID2026602
    • 2,4-Di-tert-butylhydroxybenzene
    • 2,4-bis(1,1-dimethylethyl)-phenol
    • 2,4-Bis(1,1'-dimethylethyl)phenol
    • AGIDOL 10
    • 2,4-di-tert-butyl phenol
    • NSC-174502
    • 2,4-di~{tert}-butylphenol
    • CHEMBL29873
    • DTXCID606602
    • CHEBI:89188
    • HSDB 8453
    • EC 202-532-0
    • 1-Hydroxy-2, 4-di-tert-butylbenzene
    • CAS-96-76-4
    • 2,4-ditert-butyl-phenol
    • Antioxidant No 33
    • 2,4-ditertbutylphenol
    • 2,4-di-tertbutylphenol
    • 2,4di-tert-butylphenol
    • Prodox 146A85X
    • ,4-Di-tert-butylphenol
    • Phenol, 2,4ditertbutyl
    • 2,4-di-t-butyl-phenol
    • 2,4Bis(tertbutyl)phenol
    • 2,4-di-tert.butylphenol
    • 2,4-di-tertbutyl phenol
    • 2,4-ditert-butyl phenol
    • 2,4-ditertiarybutylphenol
    • Phenol,4-di-tert-butyl-
    • 2,4-Di-tert.-butylphenol
    • 2,4Ditertbutylhydroxybenzene
    • 2,4-ditertiary-butyl phenol
    • 1Hydroxy2,4ditertbutylbenzene
    • SCHEMBL109921
    • 2,4Bis(1,1dimetiletil)fenolo
    • 2,4Bis(1,1dimethylethyl)phenol
    • MSK8731
    • 2,4-Di-tert-butylphenol, 99%
    • Phenol, 2,4di(1,1dimethylethyl)
    • BCP24012
    • HY-W014589R
    • Phenol, 2,4bis(1,1dimethylethyl)
    • Phenol,4-bis(1,1-dimethylethyl)-
    • Tox21_202320
    • Tox21_300114
    • 2,4-Di-tert-butylphenol (Standard)
    • BDBM50409544
    • NSC174502
    • Phenol,2,4-Bis(1,1-dimethylethyl)
    • AKOS003669719
    • 1ST8731
    • CS-W015305
    • HY-W014589
    • NCGC00164059-01
    • NCGC00164059-02
    • NCGC00164059-03
    • NCGC00254167-01
    • NCGC00259869-01
    • AS-13983
    • MSK8731-1000
    • PD158314
    • 2,4-Ditert-butylphenol (ACD/Name 4.0)
    • WLN: 1X1&1&R BQ CX1&1&1
    • D0229
    • NS00010683
    • EN300-20927
    • 1ST8731-1000
    • E76999
    • 4-(2-methylbutan-2-yl)-2-(prop-2-en-1-yl)phenol
    • Q26840829
    • 2,4-Di-tert-butylphenol 100 microg/mL in Acetonitrile
    • F0001-2302
    • 2,4-Di-tert-butylphenol Solution in Acetonitrile, 1000?g/mL
    • 2,4-Di-tert-butylphenol Solution in Acetonitrile, 1000mug/mL
    • (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-4-amino-1-[(2S)-2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydro
    • 202-532-0
    • UGW
  • Applications

    2,4-Di-tert-butylphenol (CAS 96-76-4) is widely used as a hindered phenolic antioxidant and stabilizer in polymers, rubbers, and related materials to prevent oxidation during processing and in service life. In practice, typical use areas include: (1) antioxidant stabilizer for polymers and elastomers (polyolefins, synthetic rubber); (2) additive for lubricants and oils to inhibit oxidative degradation; (3) stabilizer or antioxidant additive in coatings, inks, and adhesives formulations; (4) stabilizer for fuels and other petroleum products; and (5) as an intermediate or precursor in the synthesis of other antioxidants or stabilizers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 155.73
    methanol 98.41
    isopropanol 159.76
    water 0.19
    ethyl acetate 223.91
    n-propanol 170.18
    acetone 278.56
    n-butanol 168.9
    acetonitrile 208.79
    DMF 419.98
    toluene 187.22
    isobutanol 144.09
    1,4-dioxane 469.27
    methyl acetate 222.13
    THF 1074.97
    2-butanone 294.04
    n-pentanol 133.4
    sec-butanol 170.47
    n-hexane 96.23
    ethylene glycol 19.39
    NMP 560.65
    cyclohexane 119.46
    DMSO 189.67
    n-butyl acetate 326.11
    n-octanol 162.76
    chloroform 572.71
    n-propyl acetate 193.86
    acetic acid 117.65
    dichloromethane 418.96
    cyclohexanone 456.92
    propylene glycol 64.36
    isopropyl acetate 168.32
    DMAc 332.03
    2-ethoxyethanol 123.53
    isopentanol 153.96
    n-heptane 123.56
    ethyl formate 173.04
    1,2-dichloroethane 242.29
    n-hexanol 308.57
    2-methoxyethanol 197.51
    isobutyl acetate 170.0
    tetrachloromethane 101.23
    n-pentyl acetate 183.84
    transcutol 288.9
    n-heptanol 170.01
    ethylbenzene 154.65
    MIBK 170.4
    2-propoxyethanol 323.02
    tert-butanol 245.46
    MTBE 245.62
    2-butoxyethanol 191.58
    propionic acid 131.56
    o-xylene 136.84
    formic acid 24.59
    diethyl ether 204.28
    m-xylene 161.99
    p-xylene 213.15
    chlorobenzene 236.96
    dimethyl carbonate 101.5
    n-octane 47.31
    formamide 54.2
    cyclopentanone 666.28
    2-pentanone 234.01
    anisole 245.99
    cyclopentyl methyl ether 375.76
    gamma-butyrolactone 640.31
    1-methoxy-2-propanol 215.72
    pyridine 371.7
    3-pentanone 191.81
    furfural 418.89
    n-dodecane 35.86
    diethylene glycol 127.29
    diisopropyl ether 102.26
    tert-amyl alcohol 217.04
    acetylacetone 252.47
    n-hexadecane 40.31
    acetophenone 218.95
    methyl propionate 201.19
    isopentyl acetate 316.27
    trichloroethylene 475.48
    n-nonanol 147.73
    cyclohexanol 205.39
    benzyl alcohol 148.47
    2-ethylhexanol 239.08
    isooctanol 140.63
    dipropyl ether 280.82
    1,2-dichlorobenzene 214.62
    ethyl lactate 108.29
    propylene carbonate 416.6
    n-methylformamide 150.07
    2-pentanol 142.62
    n-pentane 67.96
    1-propoxy-2-propanol 298.86
    1-methoxy-2-propyl acetate 286.89
    2-(2-methoxypropoxy) propanol 194.05
    mesitylene 117.67
    ε-caprolactone 402.04
    p-cymene 155.1
    epichlorohydrin 535.37
    1,1,1-trichloroethane 331.38
    2-aminoethanol 64.89
    morpholine-4-carbaldehyde 434.14
    sulfolane 603.33
    2,2,4-trimethylpentane 44.0
    2-methyltetrahydrofuran 592.58
    n-hexyl acetate 273.28
    isooctane 40.72
    2-(2-butoxyethoxy)ethanol 223.04
    sec-butyl acetate 154.89
    tert-butyl acetate 223.83
    decalin 77.57
    glycerin 61.57
    diglyme 351.78
    acrylic acid 99.77
    isopropyl myristate 155.19
    n-butyric acid 214.7
    acetyl acetate 147.38
    di(2-ethylhexyl) phthalate 128.03
    ethyl propionate 186.61
    nitromethane 237.99
    1,2-diethoxyethane 197.87
    benzonitrile 217.83
    trioctyl phosphate 111.31
    1-bromopropane 229.23
    gamma-valerolactone 639.9
    n-decanol 121.07
    triethyl phosphate 136.77
    4-methyl-2-pentanol 105.93
    propionitrile 212.79
    vinylene carbonate 310.08
    1,1,2-trichlorotrifluoroethane 247.22
    DMS 159.3
    cumene 123.96
    2-octanol 129.74
    2-hexanone 215.65
    octyl acetate 185.24
    limonene 209.15
    1,2-dimethoxyethane 316.1
    ethyl orthosilicate 133.85
    tributyl phosphate 117.02
    diacetone alcohol 231.71
    N,N-dimethylaniline 194.37
    acrylonitrile 206.01
    aniline 178.3
    1,3-propanediol 96.55
    bromobenzene 261.82
    dibromomethane 323.8
    1,1,2,2-tetrachloroethane 401.11
    2-methyl-cyclohexyl acetate 290.52
    tetrabutyl urea 156.36
    diisobutyl methanol 138.83
    2-phenylethanol 227.9
    styrene 157.2
    dioctyl adipate 198.29
    dimethyl sulfate 143.03
    ethyl butyrate 252.06
    methyl lactate 118.64
    butyl lactate 154.36
    diethyl carbonate 174.35
    propanediol butyl ether 179.71
    triethyl orthoformate 197.05
    p-tert-butyltoluene 172.57
    methyl 4-tert-butylbenzoate 240.82
    morpholine 518.74
    tert-butylamine 201.14
    n-dodecanol 100.91
    dimethoxymethane 266.12
    ethylene carbonate 248.86
    cyrene 236.81
    2-ethoxyethyl acetate 170.54
    2-ethylhexyl acetate 274.75
    1,2,4-trichlorobenzene 254.5
    4-methylpyridine 382.77
    dibutyl ether 197.72
    2,6-dimethyl-4-heptanol 138.83
    DEF 228.5
    dimethyl isosorbide 444.62
    tetrachloroethylene 198.64
    eugenol 201.74
    triacetin 184.66
    span 80 230.3
    1,4-butanediol 45.71
    1,1-dichloroethane 307.99
    2-methyl-1-pentanol 127.1
    methyl formate 133.93
    2-methyl-1-butanol 148.15
    n-decane 56.46
    butyronitrile 249.6
    3,7-dimethyl-1-octanol 151.7
    1-chlorooctane 147.53
    1-chlorotetradecane 75.2
    n-nonane 56.53
    undecane 44.29
    tert-butylcyclohexane 80.29
    cyclooctane 54.6
    cyclopentanol 262.19
    tetrahydropyran 528.93
    tert-amyl methyl ether 192.42
    2,5,8-trioxanonane 255.49
    1-hexene 185.86
    2-isopropoxyethanol 114.24
    2,2,2-trifluoroethanol 46.37
    methyl butyrate 242.75

    Scent© AI

1 of 4
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