Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate

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  • Identifiers

    CAS number
    27676-62-6

    Molecular formula
    C48H69N3O6

    SMILES
    CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C(=O)N(C(=O)N(C2=O)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 44.61%
    Musk 42.21%
    Dry 38.65%
    Fruity 32.57%
    Leathery 32.22%
    Animal 31.92%
    Phenolic 31.55%
    Amber 31.54%
    Vetiver 27.03%
    Fatty 26.87%

     

    Flavor
    Bitter 55.73%
    Camphor 28.99%
    Mild 22.77%
    Phenolic 22.48%
    Musty 21.55%
    Bland 21.1%
    Green pepper 20.35%
    Cedarleaf 20.07%
    Creosote 20.02%
    Thymol 19.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.8

    pKa est.
    3.69 (weak acid)

    Molecular weight
    784.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2207°C

    Flash point

    • 248.76 ˚C est.

  • Synonyms

    • 27676-62-6
    • Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate
    • Plastic additive 6
    • EINECS 248-597-9
    • 680V3MP8YT
    • 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
    • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-
    • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-
    • EC 248-597-9
    • PLASTIC ADDITIVE 6 [USP-RS]
    • 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-s-triazine-2,4,6(1h,3h,5h)-trione
    • s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-
    • 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate
    • 1,3,5-TRI(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL) ISOCYANURATE
    • 1,3,5-TRIS(4-HYDROXY-3,5-DI-TERT-BUTYLBENZYL)CYANURIC ACID
    • PLASTIC ADDITIVE 6 (USP-RS)
    • 1,3,5-TRIS(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL)-S-TRIAZINETRIONE
    • 1,3,5-TRIS(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL)(1,3,5)TRIAZIN-2,4,6-TRIONE
    • RefChem:900219
    • 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione
    • IRGANOX 3114
    • C48H69N3O6
    • MFCD00134700
    • Tris(3,5-di-tert-butyl-4-hydroxybenzyl)isocyanurate
    • 1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
    • Antioxidant 3114
    • UNII-680V3MP8YT
    • Antioxidant3114
    • Plastic additive 13 CRS
    • SCHEMBL31375
    • DTXSID0027935
    • MSK3116
    • AKOS015895750
    • CS-W011393
    • SB73676
    • AS-15297
    • MSK3116-1000
    • NS00002831
    • T3653
    • AG-690/12766052
    • F791108
    • Antioxidant 3114 Solution in Hexane, 1000?g/mL
    • Q27264187
    • tris-(3,5-di-tert-butyl-4-hydroxybenzyl)-isocyanurate
    • 1,3,5-tris-(3,5-di-t-butyl-4-hydroxybenzyl)isocyanurate
    • isocyanuric acid tris(3,5-di-tert-butyl-4-hydroxybenzyl) ester
    • Plastic additive 13, European Pharmacopoeia (EP) Reference Standard
    • Plastic additive 6, United States Pharmacopeia (USP) Reference Standard
    • 1,3,5-tris(3,5-di-t-butyl-4-hydroxylbenzyl)-1,3,5-triazine-2,4,6(1H, 3H,5H)-trione
    • 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-s-triazine-2,4,6(1H,3H, 5H)-trione
    • 1,3,5-tris(3,5-ditert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione
    • 1,3,5-Tris[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
    • 1,3,5-tris[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione
    • 248-597-9
    • 27676-62-6

  • Applications

    Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate (CAS 27676-62-6) is used as a multifunctional stabilizer in polymer formulations, primarily as a hindered phenolic antioxidant and UV/weathering stabilizer. In real-world applications, it is applied in plastics and polymers to improve long-term aging resistance under heat and light; in coatings and inks to enhance color stability and weather resistance; in adhesives and sealants to extend durability under heat and light; in electronics materials and encapsulants to improve thermal-oxidative stability of polymer components; and in industrial manufacturing as a processing stabilizer to preserve mechanical properties during melt processing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.43
    methanol 21.44
    isopropanol 10.6
    water 0.11
    ethyl acetate 8.03
    n-propanol 18.98
    acetone 30.09
    n-butanol 11.2
    acetonitrile 12.58
    DMF 78.71
    toluene 4.23
    isobutanol 10.34
    1,4-dioxane 15.5
    methyl acetate 12.48
    THF 61.85
    2-butanone 26.26
    n-pentanol 12.07
    sec-butanol 10.65
    n-hexane 0.3
    ethylene glycol 7.67
    NMP 88.05
    cyclohexane 0.21
    DMSO 69.55
    n-butyl acetate 10.6
    n-octanol 4.33
    chloroform 54.41
    n-propyl acetate 11.05
    acetic acid 33.05
    dichloromethane 41.46
    cyclohexanone 27.47
    propylene glycol 17.78
    isopropyl acetate 5.37
    DMAc 77.0
    2-ethoxyethanol 27.31
    isopentanol 6.43
    n-heptane 0.27
    ethyl formate 16.7
    1,2-dichloroethane 20.15
    n-hexanol 6.93
    2-methoxyethanol 37.11
    isobutyl acetate 7.82
    tetrachloromethane 4.29
    n-pentyl acetate 12.79
    transcutol 17.93
    n-heptanol 6.6
    ethylbenzene 2.42
    MIBK 7.28
    2-propoxyethanol 29.19
    tert-butanol 7.25
    MTBE 4.3
    2-butoxyethanol 22.46
    propionic acid 19.0
    o-xylene 1.87
    formic acid 22.94
    diethyl ether 4.71
    m-xylene 2.07
    p-xylene 3.83
    chlorobenzene 9.67
    dimethyl carbonate 9.84
    n-octane 0.17
    formamide 29.37
    cyclopentanone 57.91
    2-pentanone 14.76
    anisole 6.53
    cyclopentyl methyl ether 8.3
    gamma-butyrolactone 61.74
    1-methoxy-2-propanol 27.6
    pyridine 33.45
    3-pentanone 10.15
    furfural 53.99
    n-dodecane 0.12
    diethylene glycol 18.85
    diisopropyl ether 0.74
    tert-amyl alcohol 7.44
    acetylacetone 16.35
    n-hexadecane 0.13
    acetophenone 12.43
    methyl propionate 12.96
    isopentyl acetate 8.6
    trichloroethylene 54.38
    n-nonanol 4.27
    cyclohexanol 5.03
    benzyl alcohol 13.0
    2-ethylhexanol 3.67
    isooctanol 4.63
    dipropyl ether 4.45
    1,2-dichlorobenzene 8.21
    ethyl lactate 10.66
    propylene carbonate 25.19
    n-methylformamide 42.23
    2-pentanol 4.57
    n-pentane 0.27
    1-propoxy-2-propanol 19.32
    1-methoxy-2-propyl acetate 13.03
    2-(2-methoxypropoxy) propanol 12.12
    mesitylene 0.83
    ε-caprolactone 24.53
    p-cymene 1.75
    epichlorohydrin 68.23
    1,1,1-trichloroethane 15.53
    2-aminoethanol 19.01
    morpholine-4-carbaldehyde 53.27
    sulfolane 88.21
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 18.83
    n-hexyl acetate 9.55
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 14.6
    sec-butyl acetate 5.1
    tert-butyl acetate 5.41
    decalin 0.17
    glycerin 22.31
    diglyme 22.69
    acrylic acid 23.23
    isopropyl myristate 2.5
    n-butyric acid 17.28
    acetyl acetate 5.52
    di(2-ethylhexyl) phthalate 5.9
    ethyl propionate 7.09
    nitromethane 52.28
    1,2-diethoxyethane 7.64
    benzonitrile 14.42
    trioctyl phosphate 4.2
    1-bromopropane 9.17
    gamma-valerolactone 80.93
    n-decanol 2.69
    triethyl phosphate 4.14
    4-methyl-2-pentanol 2.14
    propionitrile 13.43
    vinylene carbonate 25.88
    1,1,2-trichlorotrifluoroethane 61.46
    DMS 8.38
    cumene 1.55
    2-octanol 3.78
    2-hexanone 16.39
    octyl acetate 4.32
    limonene 1.95
    1,2-dimethoxyethane 26.96
    ethyl orthosilicate 3.81
    tributyl phosphate 4.47
    diacetone alcohol 13.41
    N,N-dimethylaniline 5.41
    acrylonitrile 21.39
    aniline 8.57
    1,3-propanediol 18.18
    bromobenzene 8.25
    dibromomethane 23.58
    1,1,2,2-tetrachloroethane 40.81
    2-methyl-cyclohexyl acetate 6.79
    tetrabutyl urea 8.05
    diisobutyl methanol 1.45
    2-phenylethanol 10.96
    styrene 2.85
    dioctyl adipate 5.34
    dimethyl sulfate 23.19
    ethyl butyrate 6.54
    methyl lactate 15.22
    butyl lactate 15.25
    diethyl carbonate 4.05
    propanediol butyl ether 19.98
    triethyl orthoformate 5.8
    p-tert-butyltoluene 1.55
    methyl 4-tert-butylbenzoate 12.76
    morpholine 27.83
    tert-butylamine 2.68
    n-dodecanol 1.59
    dimethoxymethane 27.47
    ethylene carbonate 16.96
    cyrene 27.15
    2-ethoxyethyl acetate 16.7
    2-ethylhexyl acetate 6.75
    1,2,4-trichlorobenzene 13.13
    4-methylpyridine 23.29
    dibutyl ether 2.87
    2,6-dimethyl-4-heptanol 1.45
    DEF 17.1
    dimethyl isosorbide 24.41
    tetrachloroethylene 20.55
    eugenol 15.35
    triacetin 10.88
    span 80 12.66
    1,4-butanediol 11.2
    1,1-dichloroethane 18.2
    2-methyl-1-pentanol 7.5
    methyl formate 31.56
    2-methyl-1-butanol 8.19
    n-decane 0.24
    butyronitrile 12.86
    3,7-dimethyl-1-octanol 2.95
    1-chlorooctane 1.76
    1-chlorotetradecane 0.51
    n-nonane 0.21
    undecane 0.16
    tert-butylcyclohexane 0.19
    cyclooctane 0.07
    cyclopentanol 12.49
    tetrahydropyran 11.23
    tert-amyl methyl ether 3.91
    2,5,8-trioxanonane 13.66
    1-hexene 1.97
    2-isopropoxyethanol 15.64
    2,2,2-trifluoroethanol 15.26
    methyl butyrate 12.07

    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