2-Tert-butylphenol

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  • Identifiers

    CAS number
    88-18-6

    Molecular formula
    C10H14O

    SMILES
    CC(C)(C)C1=CC=CC=C1O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 80.24%
    Leathery 61.06%
    Medicinal 57.19%
    Smoky 54.61%
    Spicy 51.32%
    Woody 48.78%
    Animal 37.99%
    Burnt 36.74%
    Camphoreous 36.34%
    Dry 34.83%

     

    Flavor
    Phenolic 62.04%
    Medicinal 43.1%
    Camphor 41.5%
    Leather 32.6%
    Woody 30.42%
    Musty 30.31%
    Spice 26.84%
    Smoke 26.2%
    Mild 25.4%
    Guaiacol 25.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.78 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • -6.8 °C

    Boiling point

    • 223 °C @ 760 mm Hg
    • 223 °C

    Flash point

    • 98.25 ˚C est.
    • 110 °C
    • 230 °F OC
    • 80 °C c.c.

    Solubility expt.

    • SOL IN ALCOHOL; VERY SOL IN ETHER; SOL IN ALKALI, CARBON TETRACHLORIDE
    • SOL IN ISOPENTANE, TOLUENE & ETHYL ALCOHOL
    • INSOL IN WATER
    • Solubility in water, g/100ml at 20 °C: 0.2 (poor)

  • Synonyms

    • 2-TERT-BUTYLPHENOL
    • 88-18-6
    • 2-(tert-butyl)phenol
    • 2-t-Butylphenol
    • Phenol, 2-(1,1-dimethylethyl)-
    • Phenol, o-tert-butyl-
    • o-t-Butylphenol
    • o-tert-Butylphenol
    • TERT-BUTYLPHENOL
    • 2-(1,1-Dimethylethyl)phenol
    • 2-tert-Butyl-1-hydroxybenzene
    • 27178-34-3
    • Phenol, (1,1-dimethylethyl)-
    • t-Butylphenol
    • Phenol, o-(tert-butyl)-
    • 2-tert-Butyl-phenol
    • ortho-tert-butylphenol
    • Phenol, 2-tert-butyl-
    • MFCD00002223
    • NL2FPV3N0Z
    • DTXSID2026525
    • CHEBI:34305
    • DTXCID206525
    • CAS-88-18-6
    • CCRIS 5825
    • HSDB 5255
    • Benzene, 1-tert-butyl-2-hydroxy-
    • EINECS 201-807-2
    • UNII-NL2FPV3N0Z
    • BRN 1907120
    • AI3-26292
    • t-butyl phenol
    • 2-tertbutylphenol
    • tert-butyl phenol
    • tert.-butylphenol
    • tertiarybutylphenol
    • 2-t-butyl phenol
    • 2-t-butyl-phenol
    • 2-tert butylphenol
    • ortho-t-butylphenol
    • tertiary butylphenol
    • EINECS 248-300-2
    • o-tert-butyl phenol
    • Ortho-tertbutylphenol
    • 2-tert-butyl phenol
    • o-(t-butyl)-phenol
    • o-tert.-butyl-phenol
    • 2-tertiary-butylphenol
    • 2-t-butyl-hydroxybenzene
    • ortho-tertiary-butyl phenol
    • EC 201-807-2
    • 2-tert-Butylphenol, 99%
    • SCHEMBL51803
    • 4-06-00-03292 (Beilstein Handbook Reference)
    • MLS001055450
    • BIDD:ER0653
    • BUTYLPHENOL, 2-TERT-
    • CHEMBL108851
    • 2-(1,1-dimethylethyl)-phenol
    • HMS3039I16
    • 2-TERT-BUTYLPHENOL [HSDB]
    • AAA08818
    • Tox21_202041
    • Tox21_300011
    • AKOS000120754
    • NCGC00090990-01
    • NCGC00090990-02
    • NCGC00090990-03
    • NCGC00090990-04
    • NCGC00254125-01
    • NCGC00259590-01
    • LS-13818
    • SMR000686063
    • B0734
    • NS00010034
    • EN300-20955
    • Q27115979
    • Z104485444
    • 1-TERT.BUTYL,2-HYDRXY-BENZENE (1-TERT.BUTYL-PHENOL)
    • InChI=1/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H

  • Applications

    2-Tert-butylphenol (CAS 88-18-6) is primarily used as an intermediate to synthesize hindered phenol antioxidants and related stabilizers for polymers, coatings, and rubber, helping prevent thermal oxidative degradation; it also serves as a precursor in fragrance chemistry, where its aromatic ring and tert-butyl group contribute to certain odor profiles or act as an intermediate for aroma compounds; in lubricants and metalworking fluids, it functions as an antioxidant additive to improve thermal and oxidative stability; it is employed in the manufacture of specialty resins, coatings, and adhesives, where it acts as a chemical building block or additive; additionally, it may be involved in the synthesis of UV stabilizers and other polymer additives, and can be used as a starting point for further functionalization in polymer and plastics applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1453.08
    methanol 1437.38
    isopropanol 1437.21
    water 2.3
    ethyl acetate 1480.66
    n-propanol 1424.76
    acetone 2016.45
    n-butanol 1231.92
    acetonitrile 2154.83
    DMF 1420.62
    toluene 606.4
    isobutanol 1160.36
    1,4-dioxane 2892.43
    methyl acetate 1460.61
    THF 5485.33
    2-butanone 1550.15
    n-pentanol 863.6
    sec-butanol 1195.36
    n-hexane 833.11
    ethylene glycol 186.21
    NMP 1286.05
    cyclohexane 625.42
    DMSO 1192.02
    n-butyl acetate 1183.28
    n-octanol 695.44
    chloroform 2060.86
    n-propyl acetate 848.95
    acetic acid 658.35
    dichloromethane 1576.32
    cyclohexanone 1886.32
    propylene glycol 296.17
    isopropyl acetate 876.36
    DMAc 631.98
    2-ethoxyethanol 752.04
    isopentanol 932.02
    n-heptane 460.67
    ethyl formate 854.99
    1,2-dichloroethane 1270.35
    n-hexanol 1733.24
    2-methoxyethanol 1111.97
    isobutyl acetate 566.56
    tetrachloromethane 462.69
    n-pentyl acetate 598.03
    transcutol 1241.72
    n-heptanol 650.64
    ethylbenzene 390.3
    MIBK 875.61
    2-propoxyethanol 1520.56
    tert-butanol 1698.4
    MTBE 1740.33
    2-butoxyethanol 669.57
    propionic acid 894.45
    o-xylene 329.41
    formic acid 191.28
    diethyl ether 2186.39
    m-xylene 477.19
    p-xylene 456.28
    chlorobenzene 675.17
    dimethyl carbonate 406.85
    n-octane 184.55
    formamide 267.79
    cyclopentanone 2655.71
    2-pentanone 1450.98
    anisole 647.39
    cyclopentyl methyl ether 2278.79
    gamma-butyrolactone 2663.53
    1-methoxy-2-propanol 1133.65
    pyridine 1086.9
    3-pentanone 959.69
    furfural 994.95
    n-dodecane 119.7
    diethylene glycol 648.46
    diisopropyl ether 743.25
    tert-amyl alcohol 1088.86
    acetylacetone 962.99
    n-hexadecane 134.27
    acetophenone 406.27
    methyl propionate 1124.64
    isopentyl acetate 915.51
    trichloroethylene 1646.52
    n-nonanol 546.58
    cyclohexanol 1141.95
    benzyl alcohol 367.54
    2-ethylhexanol 833.65
    isooctanol 509.07
    dipropyl ether 1203.74
    1,2-dichlorobenzene 472.56
    ethyl lactate 293.42
    propylene carbonate 1162.33
    n-methylformamide 872.44
    2-pentanol 1063.38
    n-pentane 587.57
    1-propoxy-2-propanol 1068.76
    1-methoxy-2-propyl acetate 786.4
    2-(2-methoxypropoxy) propanol 393.33
    mesitylene 334.38
    ε-caprolactone 1422.6
    p-cymene 254.43
    epichlorohydrin 2275.8
    1,1,1-trichloroethane 1406.21
    2-aminoethanol 427.68
    morpholine-4-carbaldehyde 1190.49
    sulfolane 2062.11
    2,2,4-trimethylpentane 182.36
    2-methyltetrahydrofuran 3158.43
    n-hexyl acetate 976.71
    isooctane 205.93
    2-(2-butoxyethoxy)ethanol 665.25
    sec-butyl acetate 512.01
    tert-butyl acetate 964.18
    decalin 230.54
    glycerin 292.1
    diglyme 1032.73
    acrylic acid 558.15
    isopropyl myristate 348.57
    n-butyric acid 1083.47
    acetyl acetate 570.06
    di(2-ethylhexyl) phthalate 201.9
    ethyl propionate 715.59
    nitromethane 1388.47
    1,2-diethoxyethane 880.72
    benzonitrile 572.8
    trioctyl phosphate 217.0
    1-bromopropane 1295.92
    gamma-valerolactone 2078.45
    n-decanol 417.75
    triethyl phosphate 221.22
    4-methyl-2-pentanol 590.04
    propionitrile 1614.22
    vinylene carbonate 781.14
    1,1,2-trichlorotrifluoroethane 628.2
    DMS 451.22
    cumene 260.95
    2-octanol 508.56
    2-hexanone 966.02
    octyl acetate 439.43
    limonene 438.56
    1,2-dimethoxyethane 1488.71
    ethyl orthosilicate 237.15
    tributyl phosphate 238.88
    diacetone alcohol 813.84
    N,N-dimethylaniline 378.18
    acrylonitrile 1304.68
    aniline 553.88
    1,3-propanediol 585.42
    bromobenzene 666.81
    dibromomethane 1309.52
    1,1,2,2-tetrachloroethane 1358.94
    2-methyl-cyclohexyl acetate 460.79
    tetrabutyl urea 280.79
    diisobutyl methanol 423.54
    2-phenylethanol 557.99
    styrene 412.49
    dioctyl adipate 335.19
    dimethyl sulfate 510.42
    ethyl butyrate 676.92
    methyl lactate 371.69
    butyl lactate 350.14
    diethyl carbonate 344.88
    propanediol butyl ether 495.39
    triethyl orthoformate 405.14
    p-tert-butyltoluene 283.04
    methyl 4-tert-butylbenzoate 437.51
    morpholine 2768.17
    tert-butylamine 1263.68
    n-dodecanol 322.15
    dimethoxymethane 1339.7
    ethylene carbonate 803.94
    cyrene 363.93
    2-ethoxyethyl acetate 531.3
    2-ethylhexyl acetate 693.44
    1,2,4-trichlorobenzene 478.22
    4-methylpyridine 1072.1
    dibutyl ether 820.55
    2,6-dimethyl-4-heptanol 423.54
    DEF 1011.2
    dimethyl isosorbide 699.29
    tetrachloroethylene 828.19
    eugenol 363.81
    triacetin 384.32
    span 80 428.91
    1,4-butanediol 275.32
    1,1-dichloroethane 1698.77
    2-methyl-1-pentanol 603.62
    methyl formate 799.14
    2-methyl-1-butanol 886.72
    n-decane 207.52
    butyronitrile 1659.63
    3,7-dimethyl-1-octanol 516.93
    1-chlorooctane 561.14
    1-chlorotetradecane 216.35
    n-nonane 234.06
    undecane 153.83
    tert-butylcyclohexane 246.61
    cyclooctane 263.11
    cyclopentanol 1414.71
    tetrahydropyran 3246.75
    tert-amyl methyl ether 982.97
    2,5,8-trioxanonane 603.1
    1-hexene 1426.55
    2-isopropoxyethanol 602.03
    2,2,2-trifluoroethanol 229.35
    methyl butyrate 903.19

    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