4-tert-Butylphenol

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  • Identifiers

    CAS number
    98-54-4

    Molecular formula
    C10H14O

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

    Safety labels

    Corrosive
    Corrosive

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 81.28%
    Spicy 61.38%
    Leathery 61.02%
    Medicinal 55.63%
    Smoky 53.99%
    Woody 47.77%
    Animal 40.79%
    Dry 35.8%
    Burnt 33.05%
    Herbal 27.19%

     

    Flavor
    Phenolic 54.41%
    Medicinal 42.68%
    Camphor 40.19%
    Woody 36.65%
    Leather 32.49%
    Spice 29.67%
    Guaiacol 24.43%
    Musty 24.0%
    Smoke 23.65%
    Creosote 23.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.94 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 214 °F (NTP, 1992)
    • 98 °C
    • 99 °C
    • 214 °F

    Boiling point

    • 463.1 °F at 760 mmHg (NTP, 1992)
    • 239 °C
    • 237.00 °C. @ 760.00 mm Hg
    • 237 °C
    • 463.1 °F

    Flash point

    • 108.31 ˚C est.
    • 235 °F (NTP, 1992)
    • 235 °F
    • 113 °C (235 °F) - closed cup
    • 115 °C o.c.

    Solubility expt.

    • Insoluble (NTP, 1992)
    • In water, 580 mg/L at 25 °C
    • In water, 610 mg/L at 25 deg (OECD Guideline 105)
    • In water, 607.2 mg/L at 25 °C (pH 6-7) National Standard ASTM E 1148 - 02, which is similar to OECD Guideline No. 105)
    • Soluble in ethanol, ether, chloroform, alkalis
    • 0.58 mg/mL at 25 °C
    • Solubility in water: none
    • insoluble in water; soluble in ethanol; soluble in ether
    • moderately soluble (in ethanol)

  • Synonyms

    • 4-tert-Butylphenol
    • 98-54-4
    • p-tert-Butylphenol
    • 4-(tert-Butyl)phenol
    • Butylphen
    • 4-(1,1-Dimethylethyl)phenol
    • PTBP
    • p-t-Butyl phenol
    • 4-t-Butylphenol
    • 4-Tert-Butylpheno
    • Phenol, 4-(1,1-dimethylethyl)-
    • Phenol, p-tert-butyl-
    • p-t-Butylphenol
    • 4-tert-butyl-phenol
    • p-terc.Butylfenol
    • para-tertiary-butylphenol
    • 1-Hydroxy-4-tert-butylbenzene
    • 4-tert-butyl phenol
    • Phenol, p-(tert-butyl)-
    • Ucar butylphenol 4-T
    • Ucar butylphenol 4-T flake
    • DTXSID1020221
    • CHEBI:34444
    • Phenol, 4-tert-butyl-
    • NSC 3697
    • p-tert-butyl-phenol
    • NSC-3697
    • MFCD00002367
    • O81VMW36CV
    • CHEMBL16217
    • DTXCID90221
    • FEMA NO. 3918
    • NCGC00159377-02
    • NCGC00159377-04
    • Caswell No. 130E
    • p-terc.Butylfenol [Czech]
    • CAS-98-54-4
    • 4-tertiary-butylphenol
    • EINECS 202-679-0
    • UNII-O81VMW36CV
    • EPA Pesticide Chemical Code 064113
    • PARA-TERT-BUTYLPHENOL
    • AI3-00126
    • p-tertbutylphenol
    • FEMA 3918
    • 4-tertbutylphenol
    • 4tert-butylphenol
    • Lowinox PTBT
    • Lowinox TBMX
    • p-tert butylphenol
    • para-t-butylphenol
    • 4- t-butylphenol
    • 4-t-butyl phenol
    • p-tert-butyl phenol
    • p-tert.-butylphenol
    • 4-tert.-butylphenol
    • Lowinox 070
    • p-tert.-butyl phenol
    • p-tertiary butylphenol
    • 4-tert.-butyl phenol
    • 4-tert.-butyl-phenol
    • paratert.-butyl phenol
    • 4-tert-Butylphenol-d9
    • p-(Tert-butyl)-Phenol
    • para-tert. butyl phenol
    • para-tert.-butyl phenol
    • para-tertiary butylphenol
    • para-tertiary-butyl phenol
    • Epitope ID:119706
    • EC 202-679-0
    • 4-tert-Butylphenol, 99%
    • SCHEMBL19157
    • BIDD:ER0239
    • 4-(1,1-dimethylethyl) phenol
    • 4-(1, 1-Dimethylethyl)phenol
    • 4-(1,1-Dimethylethyl)-Phenol
    • HSDB 8434
    • QHPQWRBYOIRBIT-UHFFFAOYSA-
    • 4-TERT-BUTYLPHENOL [MI]
    • NSC3697
    • 4-TERT-BUTYLPHENOL [FHFI]
    • CS-D1475
    • IPA73087
    • 4-tert-Butylphenol, >=99%, FG
    • Tox21_111617
    • Tox21_202326
    • Tox21_300103
    • 4-(1,1-Dimethylethyl)phenol, 9CI
    • BDBM50410495
    • MSK001652
    • STK397447
    • 2-(4-Hydroxyphenyl)-2-methylpropane
    • AKOS000119700
    • Tox21_111617_1
    • FB44572
    • ICX5609070
    • 4-tert-Butylphenol, analytical standard
    • WLN: QR DX1 & 1 & 1
    • NCGC00159377-03
    • NCGC00159377-05
    • NCGC00159377-06
    • NCGC00254213-01
    • NCGC00259875-01
    • AS-14327
    • 1ST001652
    • DB-080546
    • MSK001652-1000
    • B0230
    • B0735
    • NS00010303
    • EN300-17944
    • G77229
    • SBI-0653854.0001
    • 4-tert-Butylphenol, puriss., >=99.0% (GC)
    • 1ST001652-1000
    • 4-tert-Butylphenol, purified by sublimation, 99%
    • AE-562/40191182
    • SR-01000944715
    • Q2306557
    • SR-01000944715-1
    • 4-tert-Butylphenol Solution in Methanol, 1000?g/mL
    • 4-tert-Butylphenol Solution in Methanol, 1000mug/mL
    • BRD-K06338106-001-01-4
    • Z57127886
    • 4-tert-Butylphenol Zone Refined (number of passes:19)
    • 4-tert-Butylphenol, Zone Refined (number of passes:19)
    • F0001-2318
    • InChI=1/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3

  • Applications

    4-tert-Butylphenol (CAS 98-54-4) is primarily used as a chemical intermediate to synthesize hindered phenolic antioxidants and stabilizers for polymers, plastics, and rubbers, helping to prevent oxidation and extend product life. It also serves as a feedstock for the preparation of p-tert-butylphenyl derivatives used as monomers or modifiers in coatings and resins, including UV-curable systems, epoxy, and polyurethane. Additionally, it functions as an intermediate for making additives and stabilizers for adhesives, sealants, and lubricants. The material may be evaluated for other polymer-related applications depending on formulation and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 967.83
    methanol 522.91
    isopropanol 685.83
    water 0.94
    ethyl acetate 1086.94
    n-propanol 824.77
    acetone 1299.3
    n-butanol 734.1
    acetonitrile 1103.66
    DMF 1178.06
    toluene 161.55
    isobutanol 485.13
    1,4-dioxane 1467.31
    methyl acetate 862.02
    THF 2539.0
    2-butanone 1004.15
    n-pentanol 300.77
    sec-butanol 493.61
    n-hexane 58.35
    ethylene glycol 107.19
    NMP 689.83
    cyclohexane 76.1
    DMSO 664.03
    n-butyl acetate 663.09
    n-octanol 236.58
    chloroform 790.07
    n-propyl acetate 393.13
    acetic acid 387.56
    dichloromethane 979.86
    cyclohexanone 883.86
    propylene glycol 242.71
    isopropyl acetate 478.09
    DMAc 617.4
    2-ethoxyethanol 411.51
    isopentanol 461.58
    n-heptane 97.65
    ethyl formate 647.38
    1,2-dichloroethane 621.09
    n-hexanol 631.05
    2-methoxyethanol 932.02
    isobutyl acetate 225.89
    tetrachloromethane 122.46
    n-pentyl acetate 238.33
    transcutol 1151.69
    n-heptanol 230.24
    ethylbenzene 101.66
    MIBK 372.98
    2-propoxyethanol 871.73
    tert-butanol 735.48
    MTBE 653.55
    2-butoxyethanol 358.38
    propionic acid 449.58
    o-xylene 99.69
    formic acid 124.51
    diethyl ether 893.08
    m-xylene 134.72
    p-xylene 128.32
    chlorobenzene 254.59
    dimethyl carbonate 292.33
    n-octane 31.69
    formamide 326.76
    cyclopentanone 1466.45
    2-pentanone 881.05
    anisole 315.86
    cyclopentyl methyl ether 724.92
    gamma-butyrolactone 1505.81
    1-methoxy-2-propanol 787.25
    pyridine 537.3
    3-pentanone 512.51
    furfural 733.66
    n-dodecane 26.04
    diethylene glycol 418.85
    diisopropyl ether 215.51
    tert-amyl alcohol 471.2
    acetylacetone 795.2
    n-hexadecane 29.07
    acetophenone 225.7
    methyl propionate 761.44
    isopentyl acetate 441.98
    trichloroethylene 888.81
    n-nonanol 196.21
    cyclohexanol 339.23
    benzyl alcohol 166.86
    2-ethylhexanol 298.56
    isooctanol 158.83
    dipropyl ether 555.7
    1,2-dichlorobenzene 208.55
    ethyl lactate 164.56
    propylene carbonate 703.56
    n-methylformamide 697.59
    2-pentanol 415.09
    n-pentane 64.41
    1-propoxy-2-propanol 574.96
    1-methoxy-2-propyl acetate 577.43
    2-(2-methoxypropoxy) propanol 292.64
    mesitylene 86.87
    ε-caprolactone 688.93
    p-cymene 109.35
    epichlorohydrin 1499.99
    1,1,1-trichloroethane 512.92
    2-aminoethanol 317.51
    morpholine-4-carbaldehyde 880.05
    sulfolane 976.37
    2,2,4-trimethylpentane 36.19
    2-methyltetrahydrofuran 1386.28
    n-hexyl acetate 390.65
    isooctane 34.62
    2-(2-butoxyethoxy)ethanol 452.47
    sec-butyl acetate 243.83
    tert-butyl acetate 472.53
    decalin 38.11
    glycerin 221.96
    diglyme 765.4
    acrylic acid 276.2
    isopropyl myristate 161.91
    n-butyric acid 697.62
    acetyl acetate 457.49
    di(2-ethylhexyl) phthalate 127.85
    ethyl propionate 398.91
    nitromethane 1033.98
    1,2-diethoxyethane 580.6
    benzonitrile 255.98
    trioctyl phosphate 115.33
    1-bromopropane 426.48
    gamma-valerolactone 1414.49
    n-decanol 155.45
    triethyl phosphate 149.08
    4-methyl-2-pentanol 205.53
    propionitrile 765.02
    vinylene carbonate 560.13
    1,1,2-trichlorotrifluoroethane 423.86
    DMS 277.97
    cumene 78.99
    2-octanol 144.16
    2-hexanone 382.93
    octyl acetate 216.53
    limonene 180.34
    1,2-dimethoxyethane 725.15
    ethyl orthosilicate 142.04
    tributyl phosphate 142.8
    diacetone alcohol 485.77
    N,N-dimethylaniline 173.52
    acrylonitrile 665.04
    aniline 230.73
    1,3-propanediol 507.79
    bromobenzene 247.56
    dibromomethane 590.26
    1,1,2,2-tetrachloroethane 555.37
    2-methyl-cyclohexyl acetate 273.71
    tetrabutyl urea 164.94
    diisobutyl methanol 169.89
    2-phenylethanol 248.36
    styrene 114.98
    dioctyl adipate 218.13
    dimethyl sulfate 298.6
    ethyl butyrate 432.05
    methyl lactate 271.05
    butyl lactate 192.97
    diethyl carbonate 264.99
    propanediol butyl ether 311.77
    triethyl orthoformate 252.36
    p-tert-butyltoluene 122.63
    methyl 4-tert-butylbenzoate 242.75
    morpholine 1566.42
    tert-butylamine 479.87
    n-dodecanol 119.31
    dimethoxymethane 1045.26
    ethylene carbonate 491.6
    cyrene 267.13
    2-ethoxyethyl acetate 345.24
    2-ethylhexyl acetate 336.97
    1,2,4-trichlorobenzene 233.02
    4-methylpyridine 503.08
    dibutyl ether 313.31
    2,6-dimethyl-4-heptanol 169.89
    DEF 611.07
    dimethyl isosorbide 627.23
    tetrachloroethylene 297.88
    eugenol 218.56
    triacetin 290.75
    span 80 295.21
    1,4-butanediol 131.03
    1,1-dichloroethane 671.33
    2-methyl-1-pentanol 218.21
    methyl formate 545.62
    2-methyl-1-butanol 398.37
    n-decane 44.71
    butyronitrile 839.63
    3,7-dimethyl-1-octanol 192.83
    1-chlorooctane 155.01
    1-chlorotetradecane 67.1
    n-nonane 45.14
    undecane 33.57
    tert-butylcyclohexane 45.21
    cyclooctane 29.48
    cyclopentanol 524.01
    tetrahydropyran 1370.55
    tert-amyl methyl ether 370.33
    2,5,8-trioxanonane 491.64
    1-hexene 199.74
    2-isopropoxyethanol 283.56
    2,2,2-trifluoroethanol 141.4
    methyl butyrate 457.12

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
p-tert-Butylphenol should not be used as a fragrance ingredient.