2-tert-Butyl-4-ethylphenol

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  • Identifiers

    CAS number
    96-70-8

    Molecular formula
    C12H18O

    SMILES
    CCC1=CC(=C(C=C1)O)C(C)(C)C

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Phenolic 76.65%
    Leathery 58.55%
    Spicy 55.51%
    Smoky 54.49%
    Medicinal 50.38%
    Woody 45.24%
    Burnt 39.74%
    Animal 35.25%
    Dry 32.64%
    Camphoreous 31.56%

     

    Flavor
    Phenolic 57.66%
    Camphor 42.83%
    Medicinal 41.67%
    Woody 38.69%
    Spice 33.89%
    Musty 31.13%
    Leather 31.1%
    Spicy 27.93%
    Smoky 27.83%
    Mild 27.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    10.11 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 23 °C

    Boiling point

    • 250 °C @ 760 MM HG

    Flash point

    • 116.12 ˚C est.

    Solubility expt.

    • SOL IN ALC; INSOL IN ALKALI

  • Synonyms

    • 2-tert-Butyl-4-ethylphenol
    • 96-70-8
    • Phenol, 2-(1,1-dimethylethyl)-4-ethyl-
    • 2-T-BUTYL-4-ETHYLPHENOL
    • 4-Ethyl-2-tert-butylphenol
    • Phenol, 2-tert-butyl-4-ethyl-
    • DTXSID4044581
    • Benzene, 2-tert-butyl-4-ethyl-1-hydroxy-
    • DTXCID2024581
    • P944B16873
    • RefChem:89405
    • 202-526-8
    • 2-(tert-Butyl)-4-ethylphenol
    • 2-tert-butyl-4-ethyl-phenol
    • MFCD00069413
    • HSDB 5305
    • UNII-P944B16873
    • EINECS 202-526-8
    • SCHEMBL245857
    • CHEMBL224237
    • orb1301638
    • SCHEMBL1805800
    • SCHEMBL9177196
    • SCHEMBL27625397
    • SCHEMBL29603473
    • LZHCVNIARUXHAL-UHFFFAOYSA-
    • 2-tert-Butyl-4-ethylphenol, 99%
    • Tox21_300390
    • AKOS000120797
    • CS-W017309
    • CAS-96-70-8
    • 2-T-BUTYL-4-ETHYLPHENOL [HSDB]
    • NCGC00248017-01
    • NCGC00254521-01
    • DS-18425
    • NS00015705
    • EN300-20846
    • D88860
    • F232352
    • Q26840733
    • [2-(methylamino)acetyl] (2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoate
    • InChI=1/C12H18O/c1-5-9-6-7-11(13)10(8-9)12(2,3)4/h6-8,13H,5H2,1-4H3
    • 96-70-8

  • Applications

    2-tert-Butyl-4-ethylphenol, CAS 96-70-8, is a hindered phenolic antioxidant commonly used as a stabilizer for polymers and rubber to prevent oxidation and thermal degradation; it is frequently added in plastic systems such as polyolefins and polyesters, and in coatings and inks to improve durability and formulation stability; it is also employed as an antioxidant stabilizer for lubricants and industrial oil blends; as a chemical intermediate or precursor for the synthesis of other antioxidants or related additives used in rubber and adhesive formulations; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 657.27
    methanol 378.43
    isopropanol 830.25
    water 0.18
    ethyl acetate 678.28
    n-propanol 729.88
    acetone 1020.4
    n-butanol 685.71
    acetonitrile 946.42
    DMF 1175.64
    toluene 392.59
    isobutanol 604.75
    1,4-dioxane 1327.94
    methyl acetate 649.09
    THF 2694.04
    2-butanone 970.64
    n-pentanol 437.21
    sec-butanol 700.32
    n-hexane 318.39
    ethylene glycol 56.6
    NMP 755.75
    cyclohexane 342.35
    DMSO 582.08
    n-butyl acetate 874.74
    n-octanol 408.0
    chloroform 1494.0
    n-propyl acetate 449.35
    acetic acid 248.29
    dichloromethane 1229.84
    cyclohexanone 1209.31
    propylene glycol 172.92
    isopropyl acetate 425.41
    DMAc 593.47
    2-ethoxyethanol 304.59
    isopentanol 527.73
    n-heptane 301.99
    ethyl formate 496.07
    1,2-dichloroethane 814.78
    n-hexanol 1063.24
    2-methoxyethanol 507.36
    isobutyl acetate 329.46
    tetrachloromethane 259.51
    n-pentyl acetate 393.67
    transcutol 560.3
    n-heptanol 429.61
    ethylbenzene 299.57
    MIBK 464.61
    2-propoxyethanol 803.23
    tert-butanol 1012.81
    MTBE 897.01
    2-butoxyethanol 384.36
    propionic acid 330.54
    o-xylene 268.12
    formic acid 40.55
    diethyl ether 873.07
    m-xylene 330.35
    p-xylene 362.13
    chlorobenzene 455.59
    dimethyl carbonate 206.51
    n-octane 113.94
    formamide 93.98
    cyclopentanone 1653.19
    2-pentanone 825.6
    anisole 427.1
    cyclopentyl methyl ether 922.65
    gamma-butyrolactone 1339.0
    1-methoxy-2-propanol 605.66
    pyridine 748.88
    3-pentanone 547.38
    furfural 638.09
    n-dodecane 88.95
    diethylene glycol 291.18
    diisopropyl ether 302.92
    tert-amyl alcohol 677.31
    acetylacetone 545.79
    n-hexadecane 99.72
    acetophenone 320.02
    methyl propionate 532.78
    isopentyl acetate 714.04
    trichloroethylene 1205.54
    n-nonanol 338.4
    cyclohexanol 648.29
    benzyl alcohol 264.3
    2-ethylhexanol 579.94
    isooctanol 320.2
    dipropyl ether 752.63
    1,2-dichlorobenzene 366.52
    ethyl lactate 180.2
    propylene carbonate 673.99
    n-methylformamide 432.76
    2-pentanol 528.35
    n-pentane 247.21
    1-propoxy-2-propanol 687.65
    1-methoxy-2-propyl acetate 535.07
    2-(2-methoxypropoxy) propanol 297.07
    mesitylene 239.62
    ε-caprolactone 807.84
    p-cymene 269.2
    epichlorohydrin 1264.55
    1,1,1-trichloroethane 880.08
    2-aminoethanol 171.41
    morpholine-4-carbaldehyde 672.9
    sulfolane 1064.9
    2,2,4-trimethylpentane 100.5
    2-methyltetrahydrofuran 1461.35
    n-hexyl acetate 614.77
    isooctane 103.26
    2-(2-butoxyethoxy)ethanol 378.54
    sec-butyl acetate 292.54
    tert-butyl acetate 491.47
    decalin 156.01
    glycerin 146.73
    diglyme 620.81
    acrylic acid 209.47
    isopropyl myristate 265.49
    n-butyric acid 571.5
    acetyl acetate 301.46
    di(2-ethylhexyl) phthalate 178.59
    ethyl propionate 393.36
    nitromethane 590.66
    1,2-diethoxyethane 502.11
    benzonitrile 404.09
    trioctyl phosphate 183.27
    1-bromopropane 819.01
    gamma-valerolactone 1249.44
    n-decanol 271.02
    triethyl phosphate 178.8
    4-methyl-2-pentanol 311.59
    propionitrile 865.25
    vinylene carbonate 492.36
    1,1,2-trichlorotrifluoroethane 425.07
    DMS 283.95
    cumene 235.09
    2-octanol 319.41
    2-hexanone 530.65
    octyl acetate 342.9
    limonene 408.85
    1,2-dimethoxyethane 779.59
    ethyl orthosilicate 174.56
    tributyl phosphate 176.94
    diacetone alcohol 471.66
    N,N-dimethylaniline 301.65
    acrylonitrile 701.01
    aniline 348.2
    1,3-propanediol 298.89
    bromobenzene 519.51
    dibromomethane 999.14
    1,1,2,2-tetrachloroethane 993.1
    2-methyl-cyclohexyl acetate 392.07
    tetrabutyl urea 247.07
    diisobutyl methanol 300.84
    2-phenylethanol 418.7
    styrene 316.07
    dioctyl adipate 286.32
    dimethyl sulfate 263.59
    ethyl butyrate 482.35
    methyl lactate 201.96
    butyl lactate 269.3
    diethyl carbonate 274.71
    propanediol butyl ether 343.61
    triethyl orthoformate 292.26
    p-tert-butyltoluene 291.97
    methyl 4-tert-butylbenzoate 370.27
    morpholine 1316.82
    tert-butylamine 723.16
    n-dodecanol 219.96
    dimethoxymethane 707.55
    ethylene carbonate 480.9
    cyrene 296.37
    2-ethoxyethyl acetate 338.59
    2-ethylhexyl acetate 555.39
    1,2,4-trichlorobenzene 378.39
    4-methylpyridine 777.8
    dibutyl ether 501.6
    2,6-dimethyl-4-heptanol 300.84
    DEF 565.43
    dimethyl isosorbide 558.05
    tetrachloroethylene 502.71
    eugenol 286.11
    triacetin 296.83
    span 80 336.09
    1,4-butanediol 123.08
    1,1-dichloroethane 1060.96
    2-methyl-1-pentanol 370.18
    methyl formate 376.27
    2-methyl-1-butanol 484.73
    n-decane 138.57
    butyronitrile 1064.34
    3,7-dimethyl-1-octanol 347.49
    1-chlorooctane 370.05
    1-chlorotetradecane 165.91
    n-nonane 148.52
    undecane 108.72
    tert-butylcyclohexane 161.26
    cyclooctane 146.46
    cyclopentanol 759.61
    tetrahydropyran 1620.41
    tert-amyl methyl ether 547.81
    2,5,8-trioxanonane 409.29
    1-hexene 635.01
    2-isopropoxyethanol 283.93
    2,2,2-trifluoroethanol 79.76
    methyl butyrate 528.77

    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