4-Tert-Butyl-2-Methylphenol

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  • Identifiers

    CAS number
    98-27-1

    Molecular formula
    C11H16O

    SMILES
    CC1=C(C=CC(=C1)C(C)(C)C)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Phenolic 80.53%
    Spicy 61.03%
    Leathery 59.87%
    Smoky 57.26%
    Medicinal 55.23%
    Woody 47.13%
    Burnt 36.8%
    Dry 35.03%
    Animal 33.64%
    Camphoreous 31.52%

     

    Flavor
    Phenolic 60.32%
    Medicinal 45.35%
    Camphor 44.49%
    Woody 41.14%
    Spice 33.91%
    Leather 33.3%
    Musty 30.36%
    Smoky 29.23%
    Spicy 29.0%
    Smoke 28.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    10.15 (weak base)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point

    • 110.99 ˚C est.

  • Synonyms

    • 4-tert-Butyl-2-methylphenol
    • 98-27-1
    • Phenol, 4-(1,1-dimethylethyl)-2-methyl-
    • NSC 8477
    • EINECS 202-651-8
    • BRN 1817502
    • DTXSID5059163
    • 4-06-00-03398 (Beilstein Handbook Reference)
    • RefChem:100505
    • DTXCID8049046
    • SNKLPZOJLXDZCW-UHFFFAOYSA-N
    • 4-(tert-Butyl)-2-methylphenol
    • 4-tert-Butyl-o-cresol
    • 2-Methyl-4-tert-butylphenol
    • p-tert-Butyl-o-cresol
    • o-Cresol, 4-tert-butyl-
    • MFCD00020047
    • 4-tert-Butyl-2-methyl-phenol
    • Phenol, 4-tert-butyl-2-methyl-
    • NSC-8477
    • NSC-98355
    • Phenol,1-dimethylethyl)-2-methyl-
    • 4-?(tert-?Butyl)?-?2-?methylphenol
    • NSC8477
    • 2-methyl-4-t-butylphenol
    • NCIOpen2_001766
    • SCHEMBL171132
    • CHEMBL442536
    • SCHEMBL2862799
    • SCHEMBL6099878
    • X43H4E9XT2
    • SCHEMBL10958901
    • SCHEMBL31621104
    • NSC98355
    • AKOS000120802
    • CS-W022029
    • AS-10366
    • SY113193
    • NS00040528
    • EN300-20901
    • O11102
    • 4-tert-Butyl-2-methylphenol, >=97.0% (GC)
    • F329771
    • 98-27-1

  • Applications

    4-Tert-Butyl-2-Methylphenol (CAS 98-27-1) is predominantly used as a hindered phenolic antioxidant and stabilizer; in industry it is employed to inhibit oxidation in plastics and rubber, as an antioxidant additive for lubricants, oils and fuels, and as a stabilizer in coatings and inks; it also serves as an intermediate or specialty additive in chemical synthesis and, in some formulations, may be used in cosmetics and personal care products or in food processing as an antioxidant, depending on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1168.71
    methanol 358.45
    isopropanol 1309.35
    water 0.89
    ethyl acetate 1750.06
    n-propanol 1285.67
    acetone 2292.36
    n-butanol 1080.72
    acetonitrile 1918.17
    DMF 2142.68
    toluene 430.03
    isobutanol 1008.21
    1,4-dioxane 1758.26
    methyl acetate 1638.55
    THF 3666.67
    2-butanone 2265.4
    n-pentanol 515.01
    sec-butanol 1138.11
    n-hexane 159.52
    ethylene glycol 132.4
    NMP 1161.49
    cyclohexane 152.18
    DMSO 1030.36
    n-butyl acetate 1277.16
    n-octanol 412.05
    chloroform 1922.85
    n-propyl acetate 731.78
    acetic acid 503.87
    dichloromethane 2069.43
    cyclohexanone 1678.8
    propylene glycol 396.15
    isopropyl acetate 929.82
    DMAc 1280.65
    2-ethoxyethanol 562.58
    isopentanol 768.42
    n-heptane 189.57
    ethyl formate 1119.3
    1,2-dichloroethane 1270.27
    n-hexanol 1128.67
    2-methoxyethanol 1084.44
    isobutyl acetate 462.09
    tetrachloromethane 347.36
    n-pentyl acetate 493.56
    transcutol 1033.95
    n-heptanol 453.96
    ethylbenzene 306.08
    MIBK 735.71
    2-propoxyethanol 1246.36
    tert-butanol 1661.33
    MTBE 1611.83
    2-butoxyethanol 578.12
    propionic acid 742.94
    o-xylene 287.84
    formic acid 106.79
    diethyl ether 1325.88
    m-xylene 363.9
    p-xylene 401.58
    chlorobenzene 547.98
    dimethyl carbonate 484.45
    n-octane 81.04
    formamide 337.15
    cyclopentanone 2890.94
    2-pentanone 1610.5
    anisole 663.25
    cyclopentyl methyl ether 1151.99
    gamma-butyrolactone 2532.49
    1-methoxy-2-propanol 1164.7
    pyridine 1069.17
    3-pentanone 1089.74
    furfural 1238.59
    n-dodecane 67.47
    diethylene glycol 518.12
    diisopropyl ether 400.17
    tert-amyl alcohol 1193.8
    acetylacetone 1289.51
    n-hexadecane 75.49
    acetophenone 498.53
    methyl propionate 1261.02
    isopentyl acetate 985.8
    trichloroethylene 2041.59
    n-nonanol 345.35
    cyclohexanol 609.29
    benzyl alcohol 356.66
    2-ethylhexanol 588.18
    isooctanol 343.1
    dipropyl ether 905.76
    1,2-dichlorobenzene 457.52
    ethyl lactate 307.19
    propylene carbonate 1174.71
    n-methylformamide 1073.65
    2-pentanol 760.53
    n-pentane 149.42
    1-propoxy-2-propanol 961.88
    1-methoxy-2-propyl acetate 945.08
    2-(2-methoxypropoxy) propanol 467.95
    mesitylene 239.32
    ε-caprolactone 1217.2
    p-cymene 260.47
    epichlorohydrin 2512.32
    1,1,1-trichloroethane 1616.39
    2-aminoethanol 382.17
    morpholine-4-carbaldehyde 1293.17
    sulfolane 1877.64
    2,2,4-trimethylpentane 95.06
    2-methyltetrahydrofuran 2224.19
    n-hexyl acetate 729.35
    isooctane 88.11
    2-(2-butoxyethoxy)ethanol 618.47
    sec-butyl acetate 522.09
    tert-butyl acetate 971.21
    decalin 105.53
    glycerin 320.72
    diglyme 1002.32
    acrylic acid 447.34
    isopropyl myristate 332.24
    n-butyric acid 1106.2
    acetyl acetate 703.84
    di(2-ethylhexyl) phthalate 240.12
    ethyl propionate 739.84
    nitromethane 1531.1
    1,2-diethoxyethane 759.22
    benzonitrile 542.28
    trioctyl phosphate 239.62
    1-bromopropane 1030.66
    gamma-valerolactone 2239.99
    n-decanol 289.92
    triethyl phosphate 270.43
    4-methyl-2-pentanol 412.12
    propionitrile 1538.35
    vinylene carbonate 898.2
    1,1,2-trichlorotrifluoroethane 759.42
    DMS 465.35
    cumene 234.66
    2-octanol 315.71
    2-hexanone 836.11
    octyl acetate 428.14
    limonene 382.18
    1,2-dimethoxyethane 1105.18
    ethyl orthosilicate 254.15
    tributyl phosphate 251.32
    diacetone alcohol 909.8
    N,N-dimethylaniline 399.3
    acrylonitrile 1337.12
    aniline 486.17
    1,3-propanediol 617.27
    bromobenzene 596.87
    dibromomethane 1368.25
    1,1,2,2-tetrachloroethane 1370.22
    2-methyl-cyclohexyl acetate 523.36
    tetrabutyl urea 311.7
    diisobutyl methanol 322.61
    2-phenylethanol 506.12
    styrene 341.12
    dioctyl adipate 398.49
    dimethyl sulfate 597.58
    ethyl butyrate 813.28
    methyl lactate 454.96
    butyl lactate 368.81
    diethyl carbonate 467.02
    propanediol butyl ether 472.72
    triethyl orthoformate 413.87
    p-tert-butyltoluene 299.1
    methyl 4-tert-butylbenzoate 512.05
    morpholine 1926.37
    tert-butylamine 1067.9
    n-dodecanol 237.47
    dimethoxymethane 1320.0
    ethylene carbonate 782.58
    cyrene 468.54
    2-ethoxyethyl acetate 566.75
    2-ethylhexyl acetate 720.79
    1,2,4-trichlorobenzene 496.61
    4-methylpyridine 1069.29
    dibutyl ether 546.02
    2,6-dimethyl-4-heptanol 322.61
    DEF 1081.05
    dimethyl isosorbide 875.8
    tetrachloroethylene 642.79
    eugenol 405.52
    triacetin 479.65
    span 80 471.42
    1,4-butanediol 202.69
    1,1-dichloroethane 1897.75
    2-methyl-1-pentanol 419.59
    methyl formate 856.75
    2-methyl-1-butanol 747.03
    n-decane 104.33
    butyronitrile 1667.82
    3,7-dimethyl-1-octanol 387.06
    1-chlorooctane 337.79
    1-chlorotetradecane 156.38
    n-nonane 104.88
    undecane 83.46
    tert-butylcyclohexane 127.18
    cyclooctane 68.65
    cyclopentanol 997.29
    tetrahydropyran 1933.68
    tert-amyl methyl ether 887.36
    2,5,8-trioxanonane 646.22
    1-hexene 509.62
    2-isopropoxyethanol 450.43
    2,2,2-trifluoroethanol 216.07
    methyl butyrate 896.36

    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