2-Tert-butyl-4,5-dimethylphenol

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  • Identifiers

    CAS number
    1445-23-4

    Molecular formula
    C12H18O

    SMILES
    CC1=CC(=C(C=C1C)O)C(C)(C)C

  • Odor profile

    Fragrance
    Phenolic 69.09%
    Leathery 56.9%
    Woody 49.85%
    Smoky 45.92%
    Spicy 44.43%
    Medicinal 43.91%
    Dry 40.33%
    Burnt 37.17%
    Animal 35.36%
    Camphoreous 30.04%

     

    Flavor
    Phenolic 57.05%
    Camphor 46.19%
    Musty 37.52%
    Medicinal 36.67%
    Woody 34.99%
    Leather 31.58%
    Mild 27.49%
    Smoke 27.11%
    Spice 25.1%
    Smoky 24.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    10.03 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 115.59 ˚C est.

  • Synonyms

    • 2-tert-butyl-4,5-dimethylphenol
    • 1445-23-4
    • 2-tert-Butyl-4,5-xylenol
    • 3,4-Xylenol, 6-tert-butyl-
    • Phenol, 2-(1,1-dimethylethyl)-4,5-dimethyl-
    • 6-tert-Butyl-3,4-xylenol
    • BRN 2327366
    • EINECS 215-891-3
    • 46RP8EDN7J
    • 3-06-00-02019 (Beilstein Handbook Reference)
    • SCHEMBL395984
    • 3,4-dimethyl-6-t-butylphenol
    • DTXSID00162733
    • GDGFDAKCWRGGHW-UHFFFAOYSA-N
    • 2-tert-butyl-4,5-dimethyl-phenol
    • 2-(tert-Butyl)-4,5-dimethylphenol
    • AKOS025296264
    • 2-(1,1-Dimethylethyl)-4,5-dimethylphenol
    • DB-127866
    • NS00020385

  • Applications

    2-Tert-butyl-4,5-dimethylphenol (CAS 1445-23-4) is primarily employed as a hindered phenolic antioxidant and stabilizer in materials applications, with notable use in polymers and rubbers to slow oxidative degradation, and in lubricants and fuels to enhance shelf life and performance; it is also used as an additive in coatings and inks to improve aging resistance. The compound serves as an intermediate or building block for the synthesis of other antioxidant/stabilizer derivatives in specialty chemicals. Additionally, it can be incorporated into adhesives formulations to boost oxidative stability of bonded assemblies, and it may be encountered as a precursor in the preparation of further phenolic additives for protective finishes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 616.55
    methanol 414.5
    isopropanol 801.05
    water 0.65
    ethyl acetate 710.82
    n-propanol 703.38
    acetone 915.76
    n-butanol 658.35
    acetonitrile 969.77
    DMF 1067.27
    toluene 418.93
    isobutanol 590.15
    1,4-dioxane 1477.37
    methyl acetate 700.8
    THF 2724.69
    2-butanone 934.24
    n-pentanol 436.03
    sec-butanol 719.51
    n-hexane 340.27
    ethylene glycol 69.88
    NMP 682.96
    cyclohexane 358.2
    DMSO 462.45
    n-butyl acetate 767.42
    n-octanol 447.68
    chloroform 1312.03
    n-propyl acetate 450.96
    acetic acid 248.35
    dichloromethane 993.67
    cyclohexanone 1108.11
    propylene glycol 181.32
    isopropyl acetate 465.69
    DMAc 573.32
    2-ethoxyethanol 345.52
    isopentanol 529.81
    n-heptane 328.1
    ethyl formate 508.85
    1,2-dichloroethane 678.71
    n-hexanol 1032.78
    2-methoxyethanol 549.77
    isobutyl acetate 346.34
    tetrachloromethane 300.48
    n-pentyl acetate 394.41
    transcutol 480.57
    n-heptanol 469.94
    ethylbenzene 343.82
    MIBK 469.76
    2-propoxyethanol 875.24
    tert-butanol 1032.35
    MTBE 927.8
    2-butoxyethanol 434.39
    propionic acid 345.23
    o-xylene 280.83
    formic acid 53.92
    diethyl ether 873.41
    m-xylene 350.51
    p-xylene 426.76
    chlorobenzene 440.5
    dimethyl carbonate 226.69
    n-octane 140.53
    formamide 119.7
    cyclopentanone 1516.27
    2-pentanone 760.65
    anisole 479.13
    cyclopentyl methyl ether 1004.83
    gamma-butyrolactone 1331.02
    1-methoxy-2-propanol 654.16
    pyridine 726.24
    3-pentanone 547.18
    furfural 634.68
    n-dodecane 106.62
    diethylene glycol 335.75
    diisopropyl ether 332.75
    tert-amyl alcohol 745.15
    acetylacetone 553.4
    n-hexadecane 119.02
    acetophenone 332.16
    methyl propionate 571.15
    isopentyl acetate 643.93
    trichloroethylene 1021.69
    n-nonanol 384.98
    cyclohexanol 651.91
    benzyl alcohol 286.59
    2-ethylhexanol 578.3
    isooctanol 356.19
    dipropyl ether 719.1
    1,2-dichlorobenzene 349.68
    ethyl lactate 210.92
    propylene carbonate 657.44
    n-methylformamide 452.86
    2-pentanol 567.04
    n-pentane 270.32
    1-propoxy-2-propanol 719.49
    1-methoxy-2-propyl acetate 540.33
    2-(2-methoxypropoxy) propanol 298.69
    mesitylene 250.44
    ε-caprolactone 789.41
    p-cymene 278.99
    epichlorohydrin 1239.75
    1,1,1-trichloroethane 879.18
    2-aminoethanol 189.98
    morpholine-4-carbaldehyde 709.11
    sulfolane 956.14
    2,2,4-trimethylpentane 114.83
    2-methyltetrahydrofuran 1536.92
    n-hexyl acetate 591.57
    isooctane 115.34
    2-(2-butoxyethoxy)ethanol 393.1
    sec-butyl acetate 322.71
    tert-butyl acetate 521.91
    decalin 179.97
    glycerin 154.4
    diglyme 633.53
    acrylic acid 213.58
    isopropyl myristate 288.6
    n-butyric acid 548.7
    acetyl acetate 335.07
    di(2-ethylhexyl) phthalate 173.5
    ethyl propionate 434.76
    nitromethane 590.55
    1,2-diethoxyethane 466.55
    benzonitrile 403.93
    trioctyl phosphate 190.59
    1-bromopropane 702.32
    gamma-valerolactone 1210.7
    n-decanol 315.18
    triethyl phosphate 200.15
    4-methyl-2-pentanol 346.98
    propionitrile 879.35
    vinylene carbonate 491.19
    1,1,2-trichlorotrifluoroethane 399.95
    DMS 298.43
    cumene 265.54
    2-octanol 360.52
    2-hexanone 530.88
    octyl acetate 365.77
    limonene 414.77
    1,2-dimethoxyethane 830.83
    ethyl orthosilicate 203.64
    tributyl phosphate 178.49
    diacetone alcohol 504.62
    N,N-dimethylaniline 343.19
    acrylonitrile 734.62
    aniline 364.41
    1,3-propanediol 327.79
    bromobenzene 473.59
    dibromomethane 812.36
    1,1,2,2-tetrachloroethane 868.87
    2-methyl-cyclohexyl acetate 394.23
    tetrabutyl urea 247.07
    diisobutyl methanol 311.0
    2-phenylethanol 459.34
    styrene 340.26
    dioctyl adipate 282.83
    dimethyl sulfate 275.27
    ethyl butyrate 469.93
    methyl lactate 225.35
    butyl lactate 277.13
    diethyl carbonate 291.45
    propanediol butyl ether 347.05
    triethyl orthoformate 317.73
    p-tert-butyltoluene 304.19
    methyl 4-tert-butylbenzoate 380.52
    morpholine 1427.24
    tert-butylamine 752.61
    n-dodecanol 255.88
    dimethoxymethane 740.48
    ethylene carbonate 475.63
    cyrene 293.68
    2-ethoxyethyl acetate 338.18
    2-ethylhexyl acetate 518.39
    1,2,4-trichlorobenzene 361.13
    4-methylpyridine 748.24
    dibutyl ether 471.0
    2,6-dimethyl-4-heptanol 311.0
    DEF 550.89
    dimethyl isosorbide 557.11
    tetrachloroethylene 484.73
    eugenol 298.69
    triacetin 290.84
    span 80 335.08
    1,4-butanediol 140.78
    1,1-dichloroethane 964.57
    2-methyl-1-pentanol 360.38
    methyl formate 405.03
    2-methyl-1-butanol 488.48
    n-decane 161.49
    butyronitrile 992.04
    3,7-dimethyl-1-octanol 367.62
    1-chlorooctane 377.96
    1-chlorotetradecane 178.63
    n-nonane 171.91
    undecane 129.84
    tert-butylcyclohexane 181.83
    cyclooctane 166.3
    cyclopentanol 802.15
    tetrahydropyran 1727.49
    tert-amyl methyl ether 600.01
    2,5,8-trioxanonane 408.14
    1-hexene 631.48
    2-isopropoxyethanol 320.39
    2,2,2-trifluoroethanol 99.35
    methyl butyrate 525.61

    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