2,6-Di-tert-butylphenol

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  • Identifiers

    CAS number
    128-39-2

    Molecular formula
    C14H22O

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 58.93%
    Leathery 49.89%
    Woody 47.57%
    Camphoreous 42.23%
    Medicinal 36.61%
    Dry 36.42%
    Smoky 33.62%
    Burnt 33.48%
    Spicy 32.01%
    Animal 29.43%

     

    Flavor
    Phenolic 48.5%
    Camphor 43.32%
    Musty 38.91%
    Mild 31.54%
    Leather 26.82%
    Medicinal 25.18%
    Woody 24.53%
    Creosote 23.16%
    Thymol 21.89%
    Flat 21.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.88 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 97 °F (USCG, 1999)
    • 37 °C
    • 36-37 °C

    Boiling point

    • 487 °F at 760 mmHg (USCG, 1999)
    • 253 °C

    Flash point

    • 124.42 ˚C est.
    • greater than 200 °F (USCG, 1999)
    • 118 °C
    • 118 °C o.c.

    Solubility expt.

    • 2.5 mg/l @ 25 °C
    • Soluble in alcohol and benzene, insoluble in water
    • Insoluble in water and alkali, soluble in acetone, benzene, carbontetrachloride, ethyl alcohol, diethyl ether, and hydrocarbons.
    • Solubility in water, g/100ml at 25 °C: 0.04 (very poor)

  • Synonyms

    • 2,6-DI-TERT-BUTYLPHENOL
    • 128-39-2
    • 2,6-Di-t-butylphenol
    • 2,6-Bis(tert-butyl)phenol
    • Phenol, 2,6-bis(1,1-dimethylethyl)-
    • 2,6-Bis(1,1-dimethylethyl)phenol
    • Ethanox 701
    • Isonox 103
    • Ethyl 701
    • Ethyl AN 701
    • Hitec 4701
    • Phenol, 2,6-di-tert-butyl-
    • 2,6-Di-tert-butyl-phenol
    • AN 701
    • DTXSID6027052
    • NSC-49175
    • 21294V58PF
    • DTXCID007052
    • CHEBI:131421
    • RefChem:445274
    • 204-884-0
    • 2,6-ditert-butylphenol
    • 2,6 Di-tert-butylphenol
    • MFCD00008820
    • 2,6-Bis(t-butyl)phenol
    • NSC 49175
    • 2,6-(1,1-Dimethylethyl)phenol
    • 2,6-di-tert.-butylphenol
    • CHEMBL281071
    • CAS-128-39-2
    • CCRIS 5828
    • HSDB 5616
    • EINECS 204-884-0
    • 2,6-di-tert-butyl phenol
    • AI3-26293
    • UNII-21294V58PF
    • 2,6-ditertbutylphenol
    • 2,6-di-t butylphenol
    • 2,6 ditert-butylphenol
    • 2,6-di-tertbutylphenol
    • 2,6-ditert.butylphenol
    • 2,6Di-tert-butylphenol
    • 2,6-di(t-butyl)phenol
    • 2,6-di-t-butyl phenol
    • 2,1-dimethylethyl)phenol
    • 2,6-Di- t-butylphenol
    • 2,6-ditert.-butylphenol
    • 2,6-di- tert-butylphenol
    • 2,6-di-tert.butyl-phenol
    • EC 204-884-0
    • 2,6-di-tert-butyl- phenol
    • 2,6-di-tert.-butyl phenol
    • 2,6-di-tert.-butyl-phenol
    • 2,6-di-tertiary butylphenol
    • SCHEMBL38598
    • SCHEMBL99193
    • Phenol, 2,6-bis(t-butyl)
    • BIDD:ER0032
    • SCHEMBL438553
    • 2,6 -di-tert.-butyl phenol
    • 2,6-di-tertiary-butyl phenol
    • 2,6-Di-tert-butyl-4-phenol
    • 2,6-DTBP
    • orb3029563
    • SCHEMBL9158392
    • 2,6-Di-tert-butylhydroxybenzene
    • 2,6-Di-tert-butylphenol, 99%
    • BB_SC-12846
    • NSC49175
    • 2,6-di-(1,1-dimethylethyl)phenol
    • DI-TERT-BUTYLPHENOL, 2,6-
    • Tox21_200442
    • Tox21_300091
    • 2,6-bis (1,1-dimethylethyl)phenol
    • BDBM50240431
    • EBC-03664
    • SBB060428
    • STL280177
    • 2,6-di-(1,1-dimethylethyl)-phenol
    • AKOS009031587
    • 2,6-DI-TERT-BUTYLPHENOL [HSDB]
    • NCGC00164272-01
    • NCGC00164272-02
    • NCGC00164272-03
    • NCGC00254067-01
    • NCGC00257996-01
    • AC-14913
    • PD180190
    • SK8265000
    • 1,3-DITERT.BUTYL,2-HYDROXY-BENZENE
    • D0941
    • NS00010301
    • ST50214492
    • EN300-19647
    • F87064
    • Q2218184
    • Z104474592
    • InChI=1/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H
    • 128-39-2

  • Applications

    2,6-Di-tert-butylphenol is primarily used as an intermediate for the synthesis of hindered phenolic antioxidants and related stabilizers. It serves as a precursor for commercial antioxidant additives that protect polymers, coatings and lubricants from thermal and oxidative degradation, and is employed as a stabilizer in polymer formulations such as polyolefins and elastomers, as well as in coating systems and inks. In specialty chemical manufacture, it supports the production of derivatives and performance stabilizers, and in rubber and plastics processing it helps improve aging resistance. Its use is typically limited to controlled formulations and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 260.56
    methanol 190.84
    isopropanol 287.77
    water 0.3
    ethyl acetate 286.59
    n-propanol 282.4
    acetone 390.81
    n-butanol 293.05
    acetonitrile 344.57
    DMF 533.73
    toluene 300.68
    isobutanol 252.91
    1,4-dioxane 669.01
    methyl acetate 288.01
    THF 1492.25
    2-butanone 389.02
    n-pentanol 234.03
    sec-butanol 297.49
    n-hexane 228.39
    ethylene glycol 33.52
    NMP 678.15
    cyclohexane 284.02
    DMSO 251.1
    n-butyl acetate 430.59
    n-octanol 271.8
    chloroform 945.3
    n-propyl acetate 264.73
    acetic acid 185.82
    dichloromethane 620.4
    cyclohexanone 714.15
    propylene glycol 91.2
    isopropyl acetate 214.17
    DMAc 381.49
    2-ethoxyethanol 172.88
    isopentanol 248.66
    n-heptane 235.39
    ethyl formate 254.11
    1,2-dichloroethane 376.65
    n-hexanol 530.06
    2-methoxyethanol 259.47
    isobutyl acetate 227.76
    tetrachloromethane 184.47
    n-pentyl acetate 269.56
    transcutol 282.45
    n-heptanol 283.74
    ethylbenzene 241.11
    MIBK 241.3
    2-propoxyethanol 413.16
    tert-butanol 363.24
    MTBE 335.25
    2-butoxyethanol 259.44
    propionic acid 198.25
    o-xylene 198.79
    formic acid 41.35
    diethyl ether 321.52
    m-xylene 240.17
    p-xylene 323.74
    chlorobenzene 353.54
    dimethyl carbonate 124.2
    n-octane 94.96
    formamide 72.6
    cyclopentanone 961.23
    2-pentanone 343.95
    anisole 297.24
    cyclopentyl methyl ether 575.43
    gamma-butyrolactone 863.35
    1-methoxy-2-propanol 287.44
    pyridine 528.7
    3-pentanone 266.3
    furfural 507.0
    n-dodecane 67.28
    diethylene glycol 160.57
    diisopropyl ether 152.25
    tert-amyl alcohol 316.24
    acetylacetone 286.96
    n-hexadecane 76.39
    acetophenone 260.48
    methyl propionate 260.59
    isopentyl acetate 393.15
    trichloroethylene 671.94
    n-nonanol 240.91
    cyclohexanol 384.68
    benzyl alcohol 213.42
    2-ethylhexanol 369.74
    isooctanol 229.87
    dipropyl ether 394.46
    1,2-dichlorobenzene 301.13
    ethyl lactate 137.55
    propylene carbonate 535.35
    n-methylformamide 222.04
    2-pentanol 247.15
    n-pentane 160.64
    1-propoxy-2-propanol 386.39
    1-methoxy-2-propyl acetate 310.01
    2-(2-methoxypropoxy) propanol 204.96
    mesitylene 175.57
    ε-caprolactone 554.34
    p-cymene 237.28
    epichlorohydrin 703.43
    1,1,1-trichloroethane 505.43
    2-aminoethanol 97.97
    morpholine-4-carbaldehyde 491.01
    sulfolane 751.57
    2,2,4-trimethylpentane 79.04
    2-methyltetrahydrofuran 834.79
    n-hexyl acetate 405.51
    isooctane 74.93
    2-(2-butoxyethoxy)ethanol 243.62
    sec-butyl acetate 191.06
    tert-butyl acetate 263.62
    decalin 139.18
    glycerin 80.47
    diglyme 397.18
    acrylic acid 151.73
    isopropyl myristate 199.63
    n-butyric acid 307.59
    acetyl acetate 171.67
    di(2-ethylhexyl) phthalate 153.7
    ethyl propionate 243.89
    nitromethane 319.6
    1,2-diethoxyethane 247.15
    benzonitrile 311.33
    trioctyl phosphate 142.89
    1-bromopropane 388.41
    gamma-valerolactone 794.79
    n-decanol 187.33
    triethyl phosphate 162.36
    4-methyl-2-pentanol 169.25
    propionitrile 335.59
    vinylene carbonate 402.47
    1,1,2-trichlorotrifluoroethane 316.14
    DMS 204.45
    cumene 186.81
    2-octanol 227.9
    2-hexanone 305.15
    octyl acetate 246.92
    limonene 324.23
    1,2-dimethoxyethane 420.84
    ethyl orthosilicate 164.28
    tributyl phosphate 142.74
    diacetone alcohol 267.96
    N,N-dimethylaniline 256.25
    acrylonitrile 300.81
    aniline 255.57
    1,3-propanediol 142.81
    bromobenzene 388.51
    dibromomethane 528.7
    1,1,2,2-tetrachloroethane 602.6
    2-methyl-cyclohexyl acetate 346.96
    tetrabutyl urea 199.44
    diisobutyl methanol 206.33
    2-phenylethanol 315.04
    styrene 236.33
    dioctyl adipate 238.4
    dimethyl sulfate 170.81
    ethyl butyrate 301.29
    methyl lactate 139.0
    butyl lactate 208.4
    diethyl carbonate 206.41
    propanediol butyl ether 227.85
    triethyl orthoformate 241.74
    p-tert-butyltoluene 253.28
    methyl 4-tert-butylbenzoate 289.0
    morpholine 737.98
    tert-butylamine 299.23
    n-dodecanol 151.19
    dimethoxymethane 355.05
    ethylene carbonate 347.96
    cyrene 263.42
    2-ethoxyethyl acetate 220.33
    2-ethylhexyl acetate 346.0
    1,2,4-trichlorobenzene 331.81
    4-methylpyridine 541.92
    dibutyl ether 293.55
    2,6-dimethyl-4-heptanol 206.33
    DEF 303.2
    dimethyl isosorbide 448.37
    tetrachloroethylene 334.36
    eugenol 234.95
    triacetin 213.42
    span 80 266.73
    1,4-butanediol 76.11
    1,1-dichloroethane 482.23
    2-methyl-1-pentanol 211.2
    methyl formate 201.63
    2-methyl-1-butanol 246.36
    n-decane 111.21
    butyronitrile 427.22
    3,7-dimethyl-1-octanol 220.09
    1-chlorooctane 248.07
    1-chlorotetradecane 118.94
    n-nonane 117.63
    undecane 85.55
    tert-butylcyclohexane 137.02
    cyclooctane 126.0
    cyclopentanol 477.1
    tetrahydropyran 857.72
    tert-amyl methyl ether 270.81
    2,5,8-trioxanonane 270.45
    1-hexene 366.66
    2-isopropoxyethanol 156.58
    2,2,2-trifluoroethanol 67.54
    methyl butyrate 319.39

    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