3,5-Di-tert-butylphenol

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  • Identifiers

    CAS number
    1138-52-9

    Molecular formula
    C14H22O

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

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Woody 53.94%
    Phenolic 51.74%
    Leathery 47.55%
    Dry 41.87%
    Spicy 36.63%
    Animal 33.98%
    Vetiver 31.74%
    Camphoreous 31.33%
    Amber 30.49%
    Musk 29.86%

     

    Flavor
    Camphor 40.36%
    Phenolic 35.05%
    Woody 32.6%
    Musty 32.5%
    Mild 25.26%
    Leather 24.93%
    Creosote 21.54%
    Thymol 21.24%
    Spice 21.01%
    Medicinal 20.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.95 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    275°C

    Flash point

    • 118.07 ˚C est.

  • Synonyms

    • 3,5-Di-tert-butylphenol
    • 1138-52-9
    • 3,5-Di-t-butylphenol
    • Phenol, 3,5-bis(1,1-dimethylethyl)-
    • Phenol, 3,5-di-tert-butyl-
    • F4SMH8G9W7
    • NSC-68209
    • DTXSID3061558
    • 3,5-DTB compound
    • RefChem:486588
    • DTXCID5033333
    • 214-513-4
    • 3,5-ditert-butylphenol
    • MFCD00008829
    • 3,5-bis(tert-butyl)phenol
    • 3,5-BIS(1,1-DIMETHYLETHYL)PHENOL
    • CHEMBL321841
    • EINECS 214-513-4
    • NSC 68209
    • UNII-F4SMH8G9W7
    • 3,5-di-tert-butyl phenol
    • NSC68209
    • 3,5-di-tertbutylphenol
    • 3,5-Di-ter-butylphenol
    • ChemDiv3_014149
    • 3,5-di-tertiary butylphenol
    • SCHEMBL18268
    • Phenol, 3,5-bis(t-butyl)
    • SCHEMBL224456
    • orb1303923
    • orb3026035
    • SCHEMBL1887027
    • ZDWSNKPLZUXBPE-UHFFFAOYSA-
    • HMS1513D03
    • HMS6019D04
    • BAA13852
    • BDBM50409534
    • EBC-03662
    • SBB056787
    • AKOS001387910
    • CCG-202926
    • CS-W021820
    • HY-W041080
    • MSK171320-100M
    • IDI1_029947
    • MSK171320-1000M
    • NCGC00337070-01
    • PD158378
    • SY047068
    • DB-006313
    • D5978
    • NS00020561
    • ST50981598
    • EN300-20888
    • O10925
    • AB01330491-02
    • AG-672/25002600
    • F064653
    • SR-01000597208
    • SR-01000597208-1
    • Q27277633
    • 3,5-Di-tert-butylphenol 100 microg/mL in Acetonitrile
    • 3,5-Di-tert-butylphenol Solution in Methanol, 100ug/mL
    • Z104484466
    • 3,5-Di-tert-butylphenol Solution in Methanol, 1000ug/mL
    • InChI=1/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3
    • 1138-52-9

  • Applications

    3,5-Di-tert-butylphenol (CAS 1138-52-9) is a hindered phenolic antioxidant used as a stabilizer to limit thermal-oxidative degradation in polymers and rubbers. In plastics and elastomers such as polyolefins and styrenic resins, it acts as a primary or secondary antioxidant to extend processability and end-use longevity. It is also employed as a stabilizer in coatings, inks, and paints to improve oxidative resistance during drying and cure. In lubricants and fuels, it serves as an antioxidant additive to restrict degradation at elevated temperatures. It may function as an intermediate or building block in the synthesis of other antioxidants and UV-stabilizers, and is used in adhesives and sealants formulations to enhance aging performance. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 79.58
    methanol 55.71
    isopropanol 98.94
    water 0.3
    ethyl acetate 86.35
    n-propanol 95.93
    acetone 120.45
    n-butanol 89.42
    acetonitrile 73.67
    DMF 229.47
    toluene 89.93
    isobutanol 88.84
    1,4-dioxane 145.39
    methyl acetate 108.98
    THF 346.57
    2-butanone 161.23
    n-pentanol 76.54
    sec-butanol 103.85
    n-hexane 41.2
    ethylene glycol 21.77
    NMP 202.11
    cyclohexane 43.78
    DMSO 105.38
    n-butyl acetate 141.31
    n-octanol 88.9
    chloroform 216.1
    n-propyl acetate 79.79
    acetic acid 41.86
    dichloromethane 138.33
    cyclohexanone 189.49
    propylene glycol 60.85
    isopropyl acetate 71.07
    DMAc 209.99
    2-ethoxyethanol 72.6
    isopentanol 85.61
    n-heptane 54.75
    ethyl formate 75.88
    1,2-dichloroethane 95.42
    n-hexanol 174.8
    2-methoxyethanol 111.81
    isobutyl acetate 75.47
    tetrachloromethane 46.04
    n-pentyl acetate 80.79
    transcutol 105.05
    n-heptanol 101.19
    ethylbenzene 91.24
    MIBK 85.17
    2-propoxyethanol 182.82
    tert-butanol 147.82
    MTBE 134.62
    2-butoxyethanol 115.06
    propionic acid 63.67
    o-xylene 77.72
    formic acid 13.3
    diethyl ether 78.63
    m-xylene 76.16
    p-xylene 118.15
    chlorobenzene 98.73
    dimethyl carbonate 49.87
    n-octane 26.53
    formamide 25.2
    cyclopentanone 264.51
    2-pentanone 115.17
    anisole 127.56
    cyclopentyl methyl ether 136.62
    gamma-butyrolactone 210.17
    1-methoxy-2-propanol 137.4
    pyridine 141.29
    3-pentanone 97.41
    furfural 167.64
    n-dodecane 22.85
    diethylene glycol 91.54
    diisopropyl ether 41.71
    tert-amyl alcohol 143.73
    acetylacetone 111.6
    n-hexadecane 24.44
    acetophenone 115.84
    methyl propionate 95.75
    isopentyl acetate 147.39
    trichloroethylene 185.46
    n-nonanol 87.21
    cyclohexanol 95.82
    benzyl alcohol 86.5
    2-ethylhexanol 132.49
    isooctanol 85.18
    dipropyl ether 125.78
    1,2-dichlorobenzene 93.37
    ethyl lactate 67.68
    propylene carbonate 152.77
    n-methylformamide 79.35
    2-pentanol 77.9
    n-pentane 31.22
    1-propoxy-2-propanol 176.7
    1-methoxy-2-propyl acetate 145.19
    2-(2-methoxypropoxy) propanol 118.75
    mesitylene 52.27
    ε-caprolactone 149.82
    p-cymene 92.34
    epichlorohydrin 188.1
    1,1,1-trichloroethane 131.92
    2-aminoethanol 48.2
    morpholine-4-carbaldehyde 179.54
    sulfolane 220.23
    2,2,4-trimethylpentane 23.01
    2-methyltetrahydrofuran 212.45
    n-hexyl acetate 115.29
    isooctane 18.34
    2-(2-butoxyethoxy)ethanol 115.14
    sec-butyl acetate 69.39
    tert-butyl acetate 96.97
    decalin 37.5
    glycerin 59.27
    diglyme 158.53
    acrylic acid 49.77
    isopropyl myristate 77.31
    n-butyric acid 87.26
    acetyl acetate 54.22
    di(2-ethylhexyl) phthalate 71.37
    ethyl propionate 82.04
    nitromethane 84.16
    1,2-diethoxyethane 82.4
    benzonitrile 101.42
    trioctyl phosphate 61.21
    1-bromopropane 100.25
    gamma-valerolactone 228.0
    n-decanol 76.82
    triethyl phosphate 76.21
    4-methyl-2-pentanol 63.06
    propionitrile 104.3
    vinylene carbonate 121.14
    1,1,2-trichlorotrifluoroethane 122.24
    DMS 79.21
    cumene 77.76
    2-octanol 75.23
    2-hexanone 107.08
    octyl acetate 90.33
    limonene 106.19
    1,2-dimethoxyethane 153.46
    ethyl orthosilicate 73.45
    tributyl phosphate 62.32
    diacetone alcohol 129.1
    N,N-dimethylaniline 119.83
    acrylonitrile 106.19
    aniline 81.18
    1,3-propanediol 61.96
    bromobenzene 110.97
    dibromomethane 120.12
    1,1,2,2-tetrachloroethane 184.51
    2-methyl-cyclohexyl acetate 129.13
    tetrabutyl urea 91.08
    diisobutyl methanol 83.02
    2-phenylethanol 138.69
    styrene 82.01
    dioctyl adipate 94.01
    dimethyl sulfate 72.6
    ethyl butyrate 112.14
    methyl lactate 76.0
    butyl lactate 85.31
    diethyl carbonate 82.02
    propanediol butyl ether 103.44
    triethyl orthoformate 93.81
    p-tert-butyltoluene 102.53
    methyl 4-tert-butylbenzoate 135.77
    morpholine 176.69
    tert-butylamine 115.89
    n-dodecanol 66.56
    dimethoxymethane 122.88
    ethylene carbonate 96.99
    cyrene 141.35
    2-ethoxyethyl acetate 76.28
    2-ethylhexyl acetate 125.77
    1,2,4-trichlorobenzene 111.73
    4-methylpyridine 157.39
    dibutyl ether 83.17
    2,6-dimethyl-4-heptanol 83.02
    DEF 103.55
    dimethyl isosorbide 205.11
    tetrachloroethylene 85.07
    eugenol 119.81
    triacetin 86.57
    span 80 120.03
    1,4-butanediol 35.44
    1,1-dichloroethane 128.67
    2-methyl-1-pentanol 79.66
    methyl formate 66.42
    2-methyl-1-butanol 84.01
    n-decane 31.65
    butyronitrile 109.98
    3,7-dimethyl-1-octanol 94.02
    1-chlorooctane 73.33
    1-chlorotetradecane 43.57
    n-nonane 30.5
    undecane 26.33
    tert-butylcyclohexane 40.92
    cyclooctane 23.61
    cyclopentanol 122.58
    tetrahydropyran 183.81
    tert-amyl methyl ether 113.65
    2,5,8-trioxanonane 131.47
    1-hexene 86.05
    2-isopropoxyethanol 71.37
    2,2,2-trifluoroethanol 21.27
    methyl butyrate 109.48

    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