4,6-Di-tert-butyl-3-methylphenol

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  • Identifiers

    CAS number
    497-39-2

    Molecular formula
    C15H24O

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 55.39%
    Woody 53.3%
    Leathery 50.9%
    Dry 44.0%
    Musk 36.73%
    Camphoreous 34.44%
    Spicy 33.63%
    Medicinal 33.31%
    Animal 32.52%
    Smoky 32.23%

     

    Flavor
    Phenolic 47.43%
    Camphor 44.43%
    Musty 39.73%
    Mild 31.78%
    Woody 29.01%
    Leather 28.26%
    Medicinal 24.18%
    Creosote 22.89%
    Thymol 22.16%
    Flat 22.01%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    8.73 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 62.1 °C

    Boiling point

    • 211 °C @ 100 MM HG

    Flash point

    • 129.04 ˚C est.

    Solubility expt.

    • PRACTICALLY INSOL IN WATER, ETHYLENE GLYCOL; SOL IN ALC, BENZENE, CARBON TETRACHLORIDE, ETHER, ACETONE

  • Synonyms

    • 4,6-Di-tert-butyl-m-cresol
    • 497-39-2
    • 4,6-DI-TERT-BUTYL-3-METHYLPHENOL
    • 3-Methyl-4,6-di-tert-butylphenol
    • 4,6-Di-t-butyl-m-cresol
    • Di-tert-butyl-m-cresol
    • 2,4-Di-t-butyl-5-methylphenol
    • m-Cresol, 4,6-di-tert-butyl-
    • Phenol, 2,4-bis(1,1-dimethylethyl)-5-methyl-
    • 2,4-Bis(1,1-dimethylethyl)-5-methylphenol
    • HSDB 5669
    • EINECS 207-847-7
    • BRN 2094885
    • TMY866FL30
    • DTXSID1041502
    • AI3-15481
    • DTXCID9021502
    • 4-06-00-03510 (Beilstein Handbook Reference)
    • 4,6-DI-TERT-BUTYL-3-METHYLPHENOL [HSDB]
    • Ditertbutylmcresol
    • 4,6Ditbutylmcresol
    • 4,6Ditertbutylmcresol
    • 2,4Ditbutyl5methylphenol
    • mCresol, 4,6ditertbutyl
    • RefChem:507915
    • 3Methyl4,6ditertbutylphenol
    • 2,4Bis(1,1dimethylethyl)5methylphenol
    • Phenol, 2,4bis(1,1dimethylethyl)5methyl
    • 207-847-7
    • 2,4-Di-tert-butyl-5-methylphenol
    • DBMC
    • 2,4-Ditert-butyl-5-methylphenol
    • MFCD00059208
    • 2,4-Di-tert-butyl-5-hydroxytoluene
    • UNII-TMY866FL30
    • 2,4-ditert-butyl-5-methyl-phenol
    • 2,4-Bis(1,1-dimethylethyl)-5-methylphenol; 2,4-Di-tert-butyl-5-methylphenol; 3-Methyl-4,6-di-tert-butylphenol; 4,6-Di-tert-butyl-3-methylphenol; DBMC; Di-tert-Butyl-m-cresol
    • DBMC [MI]
    • SCHEMBL824520
    • orb1987240
    • SCHEMBL7640687
    • CHEMBL3183034
    • SCHEMBL29395805
    • Tox21_301524
    • 2,4-Ditert-butyl-5-methylphenol #
    • AKOS015890396
    • NCGC00255488-01
    • CAS-497-39-2
    • DB-051683
    • CS-0153302
    • D1432
    • NS00019900
    • 2,4-bis-(1,1-dimethylethyl)-5-methyl-phenol
    • D89855
    • Q27290032
    • InChI=1/C15H24O/c1-10-8-13(16)12(15(5,6)7)9-11(10)14(2,3)4/h8-9,16H,1-7H
    • 497-39-2

  • Applications

    Chemical name: 4,6-Di-tert-butyl-3-methylphenol; CAS number: 497-39-2 is a hindered phenol antioxidant used as a stabilizer in industrial formulations. In polymers and plastics it retards thermal and oxidative degradation during processing and service, helping extend polymer life. It is also employed in rubbers and elastomers to improve aging resistance, and in hydrocarbon-based products such as lubricants and fuels to prevent oxidation. Additional applications include use in coatings and inks to enhance stability, and in some adhesive formulations as a stabilizer. The use of this additive is formulation-dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 231.77
    methanol 195.37
    isopropanol 190.56
    water 0.19
    ethyl acetate 243.94
    n-propanol 224.88
    acetone 315.07
    n-butanol 228.84
    acetonitrile 237.45
    DMF 535.2
    toluene 236.52
    isobutanol 176.35
    1,4-dioxane 684.48
    methyl acetate 235.16
    THF 1599.01
    2-butanone 302.38
    n-pentanol 177.4
    sec-butanol 189.71
    n-hexane 130.69
    ethylene glycol 21.46
    NMP 679.56
    cyclohexane 163.42
    DMSO 217.57
    n-butyl acetate 379.11
    n-octanol 202.9
    chloroform 623.04
    n-propyl acetate 223.15
    acetic acid 149.28
    dichloromethane 512.44
    cyclohexanone 577.18
    propylene glycol 61.35
    isopropyl acetate 180.65
    DMAc 343.08
    2-ethoxyethanol 161.5
    isopentanol 197.21
    n-heptane 149.69
    ethyl formate 212.97
    1,2-dichloroethane 307.49
    n-hexanol 416.25
    2-methoxyethanol 268.52
    isobutyl acetate 194.97
    tetrachloromethane 120.92
    n-pentyl acetate 228.63
    transcutol 343.91
    n-heptanol 209.29
    ethylbenzene 164.97
    MIBK 185.37
    2-propoxyethanol 433.17
    tert-butanol 259.12
    MTBE 279.19
    2-butoxyethanol 237.67
    propionic acid 134.7
    o-xylene 145.6
    formic acid 35.84
    diethyl ether 281.92
    m-xylene 186.86
    p-xylene 232.34
    chlorobenzene 284.15
    dimethyl carbonate 112.33
    n-octane 53.47
    formamide 65.6
    cyclopentanone 801.87
    2-pentanone 276.32
    anisole 260.63
    cyclopentyl methyl ether 526.59
    gamma-butyrolactone 771.67
    1-methoxy-2-propanol 265.68
    pyridine 470.61
    3-pentanone 210.18
    furfural 497.93
    n-dodecane 37.26
    diethylene glycol 161.6
    diisopropyl ether 119.6
    tert-amyl alcohol 225.12
    acetylacetone 266.5
    n-hexadecane 42.19
    acetophenone 215.59
    methyl propionate 218.83
    isopentyl acetate 358.97
    trichloroethylene 543.03
    n-nonanol 179.95
    cyclohexanol 262.09
    benzyl alcohol 176.15
    2-ethylhexanol 281.65
    isooctanol 168.68
    dipropyl ether 343.29
    1,2-dichlorobenzene 226.02
    ethyl lactate 106.37
    propylene carbonate 472.26
    n-methylformamide 200.23
    2-pentanol 168.45
    n-pentane 93.81
    1-propoxy-2-propanol 349.83
    1-methoxy-2-propyl acetate 319.88
    2-(2-methoxypropoxy) propanol 191.74
    mesitylene 127.86
    ε-caprolactone 489.6
    p-cymene 165.15
    epichlorohydrin 699.78
    1,1,1-trichloroethane 351.93
    2-aminoethanol 78.66
    morpholine-4-carbaldehyde 556.09
    sulfolane 666.13
    2,2,4-trimethylpentane 49.38
    2-methyltetrahydrofuran 786.16
    n-hexyl acetate 346.25
    isooctane 46.52
    2-(2-butoxyethoxy)ethanol 254.11
    sec-butyl acetate 165.35
    tert-butyl acetate 237.51
    decalin 83.34
    glycerin 60.35
    diglyme 413.26
    acrylic acid 103.95
    isopropyl myristate 164.12
    n-butyric acid 240.15
    acetyl acetate 151.53
    di(2-ethylhexyl) phthalate 135.63
    ethyl propionate 199.94
    nitromethane 279.86
    1,2-diethoxyethane 249.78
    benzonitrile 248.14
    trioctyl phosphate 121.28
    1-bromopropane 284.78
    gamma-valerolactone 826.25
    n-decanol 141.68
    triethyl phosphate 140.06
    4-methyl-2-pentanol 118.45
    propionitrile 232.32
    vinylene carbonate 361.43
    1,1,2-trichlorotrifluoroethane 254.91
    DMS 182.55
    cumene 127.28
    2-octanol 156.62
    2-hexanone 250.26
    octyl acetate 207.66
    limonene 234.62
    1,2-dimethoxyethane 413.18
    ethyl orthosilicate 145.32
    tributyl phosphate 126.04
    diacetone alcohol 232.78
    N,N-dimethylaniline 195.04
    acrylonitrile 216.37
    aniline 215.37
    1,3-propanediol 121.26
    bromobenzene 307.62
    dibromomethane 375.22
    1,1,2,2-tetrachloroethane 436.16
    2-methyl-cyclohexyl acetate 298.94
    tetrabutyl urea 169.05
    diisobutyl methanol 150.03
    2-phenylethanol 265.27
    styrene 168.34
    dioctyl adipate 201.82
    dimethyl sulfate 138.71
    ethyl butyrate 261.34
    methyl lactate 110.32
    butyl lactate 169.48
    diethyl carbonate 180.32
    propanediol butyl ether 197.63
    triethyl orthoformate 222.51
    p-tert-butyltoluene 180.04
    methyl 4-tert-butylbenzoate 237.43
    morpholine 739.37
    tert-butylamine 211.43
    n-dodecanol 111.78
    dimethoxymethane 392.04
    ethylene carbonate 301.59
    cyrene 241.77
    2-ethoxyethyl acetate 216.57
    2-ethylhexyl acetate 318.31
    1,2,4-trichlorobenzene 266.19
    4-methylpyridine 494.35
    dibutyl ether 239.06
    2,6-dimethyl-4-heptanol 150.03
    DEF 279.06
    dimethyl isosorbide 490.28
    tetrachloroethylene 235.43
    eugenol 207.9
    triacetin 188.11
    span 80 248.55
    1,4-butanediol 54.17
    1,1-dichloroethane 333.19
    2-methyl-1-pentanol 167.93
    methyl formate 178.46
    2-methyl-1-butanol 188.39
    n-decane 64.43
    butyronitrile 310.16
    3,7-dimethyl-1-octanol 171.93
    1-chlorooctane 175.35
    1-chlorotetradecane 79.8
    n-nonane 66.4
    undecane 47.71
    tert-butylcyclohexane 87.34
    cyclooctane 67.23
    cyclopentanol 323.28
    tetrahydropyran 756.5
    tert-amyl methyl ether 217.06
    2,5,8-trioxanonane 281.52
    1-hexene 254.86
    2-isopropoxyethanol 138.72
    2,2,2-trifluoroethanol 48.93
    methyl butyrate 268.48

    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