Phenol, 4-((4,6-bis(octylthio)-1,3,5-triazin-2-yl)amino)-2,6-bis(1,1-dimethylethyl)-

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  • Identifiers

    CAS number
    991-84-4

    Molecular formula
    C33H56N4OS2

    SMILES
    CCCCCCCCSC1=NC(=NC(=N1)NC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 40.8%
    Fatty 38.3%
    Meaty 37.94%
    Roasted 33.31%
    Floral 31.76%
    Sulfurous 31.4%
    Burnt 31.04%
    Green 30.5%
    Savory 29.53%
    Tropical 26.18%

     

    Flavor
    Bland 27.21%
    Mild 25.5%
    Herbal 21.57%
    Pepper 21.19%
    Green pepper 21.16%
    Carrot 21.13%
    Syrup 20.78%
    Tomato leaf 20.62%
    Cedarleaf 19.85%
    Creosote 19.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.4

    pKa est.
    7.2 (neutral)

    Molecular weight
    589.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    337°C

    Flash point

    • 249.72 ˚C est.

  • Synonyms

    • 991-84-4
    • Irganox 565
    • Irganox RA 565
    • 2,4-Bis(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine
    • NSC 328455
    • O1Q826IX7H
    • TINOGARD MD1
    • EINECS 213-590-1
    • IRGANOX 565 RA
    • NSC-328455
    • 2,6-Di-tert-butyl-4-(4,6-bis(octylthio)-1,3,5-triazin-2-ylamino)phenol
    • EC 213-590-1
    • Phenol, 4-((4,6-bis(octylthio)-1,3,5-triazin-2-yl)amino)-2,6-bis(1,1-dimethylethyl)-
    • 4-((4,6-bis(octylthio)-1,3,5-triazin-2-yl)amino)-2,6-bis(1,1-dimethylethyl)-phenol
    • Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)-
    • DI-T-BUTYL HYDROXYPHENYLAMINO BISOCTYLTHIOTRIAZINE
    • 4-((4,6-bis(octylthio)-s-triazin-2-yl)amino)-2,6-di-tert-butylphenol
    • Phenol, 4-((4,6-bis(octylthio)-s-triazin-2-yl)amino)-2,6-di-tert-butyl-
    • 4-((4, 6-BIS(OCTYLTHIO)6-BIS(OCTYLTHIO)6-BIS(OCTYLTHIO)-S-TRIAZIN-2-YL)AMINO)-2,6-DI-TERT-BUTYLPHENOL
    • RefChem:861174
    • 4-((4,6-BIS(OCTYLTHIO)6-BIS(OCTYLTHIO)6-BIS(OCTYLTHIO)-S-TRIAZIN-2-YL)AMINO)-2,6-DI-TERT-BUTYLPHENOL
    • DI-T-BUTYL HYDROXYPHENYLAMINO BISOCTYLTHIOTRIAZINE [INCI]
    • Phenol, 4-((4,6-bis(octylthio)-s-triazin-2-yl)amino)-2,6-di-tert-butyl-(8CI)
    • 213-590-1
    • 4-((4,6-Bis(octylthio)-1,3,5-triazin-2-yl)amino)-2,6-di-tert-butylphenol
    • 4-{[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino}-2,6-di-tert-butylphenol
    • MFCD00134696
    • C33H56N4OS2
    • Antioxidant 25
    • Antioxidant 565; Irganox 565
    • 4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol
    • ANTIOXIDANT 565
    • 2,4-bis-(Octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine
    • 4-{[4,6-BIS(OCTYLSULFANYL)-1,3,5-TRIAZIN-2-YL]AMINO-2,6-DI-TERT-BUTYLPHENOL
    • UNII-O1Q826IX7H
    • 4-[[4,6-Bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-di-tert-butylphenol
    • Irganox(R) 565
    • SCHEMBL38965
    • orb2646157
    • DTXSID1052662
    • CHEBI:141532
    • MSK161948
    • NSC328455
    • AKOS015901361
    • HY-W020214
    • SB73228
    • 2,4-Bis(n-octylthio)-6-(4'-hydroxy-3',5'-di-tert-butylanilino)-1,3,5-triazine
    • 4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butyl-phenol
    • AS-10469
    • FB151058
    • SY105756
    • B5977
    • CS-0039228
    • NS00004572
    • 2,5'-di-tert-butylanilino)-1,3,5-triazine
    • 991B844
    • Q27285208
    • Phenol,6-bis(octylthio)-s-triazin-2-yl]amino]-2,6-di-tert-butyl-
    • 4-((4,6-Bis(octylthio)-1,3,5-triazin-2-yl)amino)-2,6-di-t-butylphenol
    • 2,4-bis-(n-octylthio)-6-(4-hydroxy-3,5-di-t-butylanilino)-1,3,5-triazine
    • 2,4-bis-(n-octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine
    • 4-[[4,6-Bis(n-octylthio)-1,3,5-triazin-2-yl]amino]-2,6-di-tert-butylphenol
    • 6-(4-HYDROXY-3,5-TERT-BUTYL-ANILINE)2,4-BIS(N-OCTYLTHIO)1,3,5-TRIAZINE
    • Phenol,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)-
    • 2,4-Bis(n-octylthio)-6-(4'-hydroxy-3',5'-di-tert-butylanilino)-1,3,5-triazine 100 microg/mL in Acetonitrile
    • 4-((4 pound not6-Bis(octylthio)-1 pound not3 pound not5-triazin-2-yl)amino)-2 pound not6-di-tert-butylphenol
    • 4-((4,6-BIS(OCTYLTHIO)6-BIS(OCTYLTHIO)6- BIS(OCTYLTHIO)-S-TRIAZIN-2-YL)AMINO)-2,6-DI-TERT-BUTYLPHENOL
    • 991-84-4

  • Applications

    Phenol, 4-((4,6-bis(octylthio)-1,3,5-triazin-2-yl)amino)-2,6-bis(1,1-dimethylethyl)-, CAS 991-84-4, is primarily employed as a stabilizer/additive in polymer and coating systems, functioning as a hindered phenolic antioxidant to improve thermal and oxidative stability. It is commonly evaluated for use in polyolefins and polyurethanes as well as in coating and ink formulations to extend service life and resist degradation under heat and light. It may also be used in adhesive formulations as an antioxidant/stabilizer and in lubricants as an additive to enhance longevity. Additionally, the compound can serve as an intermediate in the synthesis of specialty chemicals due to its triazine core with octylthio and tert-butyl substituents.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 97.38
    methanol 61.71
    isopropanol 91.15
    water 0.84
    ethyl acetate 276.76
    n-propanol 153.76
    acetone 307.86
    n-butanol 142.02
    acetonitrile 78.44
    DMF 450.03
    toluene 255.5
    isobutanol 131.32
    1,4-dioxane 229.62
    methyl acetate 234.51
    THF 726.1
    2-butanone 402.86
    n-pentanol 140.92
    sec-butanol 155.76
    n-hexane 24.99
    ethylene glycol 14.29
    NMP 1004.51
    cyclohexane 45.52
    DMSO 334.79
    n-butyl acetate 223.09
    n-octanol 89.05
    chloroform 758.4
    n-propyl acetate 232.1
    acetic acid 238.78
    dichloromethane 652.06
    cyclohexanone 770.87
    propylene glycol 47.28
    isopropyl acetate 211.61
    DMAc 686.3
    2-ethoxyethanol 159.63
    isopentanol 115.23
    n-heptane 19.78
    ethyl formate 187.3
    1,2-dichloroethane 418.62
    n-hexanol 99.55
    2-methoxyethanol 176.25
    isobutyl acetate 181.33
    tetrachloromethane 175.99
    n-pentyl acetate 320.58
    transcutol 253.18
    n-heptanol 112.09
    ethylbenzene 107.41
    MIBK 198.31
    2-propoxyethanol 171.16
    tert-butanol 90.86
    MTBE 141.61
    2-butoxyethanol 217.55
    propionic acid 222.03
    o-xylene 132.81
    formic acid 62.76
    diethyl ether 140.6
    m-xylene 143.72
    p-xylene 155.11
    chlorobenzene 370.96
    dimethyl carbonate 169.71
    n-octane 11.73
    formamide 93.22
    cyclopentanone 886.76
    2-pentanone 339.63
    anisole 163.13
    cyclopentyl methyl ether 373.3
    gamma-butyrolactone 839.52
    1-methoxy-2-propanol 179.52
    pyridine 463.82
    3-pentanone 311.53
    furfural 535.79
    n-dodecane 6.21
    diethylene glycol 71.78
    diisopropyl ether 51.71
    tert-amyl alcohol 143.13
    acetylacetone 366.78
    n-hexadecane 7.37
    acetophenone 253.77
    methyl propionate 294.46
    isopentyl acetate 210.08
    trichloroethylene 918.14
    n-nonanol 88.91
    cyclohexanol 231.31
    benzyl alcohol 184.25
    2-ethylhexanol 89.62
    isooctanol 96.39
    dipropyl ether 110.28
    1,2-dichlorobenzene 306.28
    ethyl lactate 125.53
    propylene carbonate 485.66
    n-methylformamide 194.49
    2-pentanol 111.65
    n-pentane 24.93
    1-propoxy-2-propanol 167.2
    1-methoxy-2-propyl acetate 229.71
    2-(2-methoxypropoxy) propanol 131.51
    mesitylene 74.36
    ε-caprolactone 656.37
    p-cymene 66.27
    epichlorohydrin 737.14
    1,1,1-trichloroethane 528.64
    2-aminoethanol 50.95
    morpholine-4-carbaldehyde 492.54
    sulfolane 1069.43
    2,2,4-trimethylpentane 15.56
    2-methyltetrahydrofuran 551.16
    n-hexyl acetate 272.47
    isooctane 7.35
    2-(2-butoxyethoxy)ethanol 167.33
    sec-butyl acetate 177.46
    tert-butyl acetate 205.39
    decalin 20.79
    glycerin 63.91
    diglyme 304.96
    acrylic acid 193.94
    isopropyl myristate 88.26
    n-butyric acid 339.07
    acetyl acetate 200.27
    di(2-ethylhexyl) phthalate 107.79
    ethyl propionate 195.05
    nitromethane 313.41
    1,2-diethoxyethane 150.47
    benzonitrile 197.41
    trioctyl phosphate 87.92
    1-bromopropane 288.24
    gamma-valerolactone 935.4
    n-decanol 57.68
    triethyl phosphate 107.7
    4-methyl-2-pentanol 65.14
    propionitrile 116.14
    vinylene carbonate 399.78
    1,1,2-trichlorotrifluoroethane 551.38
    DMS 196.5
    cumene 68.4
    2-octanol 92.9
    2-hexanone 266.23
    octyl acetate 130.51
    limonene 98.75
    1,2-dimethoxyethane 225.41
    ethyl orthosilicate 103.57
    tributyl phosphate 97.39
    diacetone alcohol 219.83
    N,N-dimethylaniline 135.0
    acrylonitrile 133.01
    aniline 239.49
    1,3-propanediol 86.44
    bromobenzene 379.38
    dibromomethane 464.41
    1,1,2,2-tetrachloroethane 816.92
    2-methyl-cyclohexyl acetate 181.97
    tetrabutyl urea 138.07
    diisobutyl methanol 48.23
    2-phenylethanol 145.73
    styrene 133.82
    dioctyl adipate 147.03
    dimethyl sulfate 334.99
    ethyl butyrate 181.45
    methyl lactate 167.91
    butyl lactate 235.2
    diethyl carbonate 115.77
    propanediol butyl ether 166.39
    triethyl orthoformate 148.8
    p-tert-butyltoluene 61.76
    methyl 4-tert-butylbenzoate 223.73
    morpholine 343.61
    tert-butylamine 56.83
    n-dodecanol 39.25
    dimethoxymethane 244.47
    ethylene carbonate 350.33
    cyrene 231.85
    2-ethoxyethyl acetate 326.33
    2-ethylhexyl acetate 192.79
    1,2,4-trichlorobenzene 415.33
    4-methylpyridine 489.19
    dibutyl ether 96.17
    2,6-dimethyl-4-heptanol 48.23
    DEF 358.41
    dimethyl isosorbide 275.14
    tetrachloroethylene 475.04
    eugenol 191.16
    triacetin 253.82
    span 80 161.12
    1,4-butanediol 55.07
    1,1-dichloroethane 430.43
    2-methyl-1-pentanol 134.79
    methyl formate 166.56
    2-methyl-1-butanol 154.32
    n-decane 13.14
    butyronitrile 140.49
    3,7-dimethyl-1-octanol 70.12
    1-chlorooctane 76.98
    1-chlorotetradecane 23.11
    n-nonane 12.34
    undecane 8.48
    tert-butylcyclohexane 16.57
    cyclooctane 16.44
    cyclopentanol 280.15
    tetrahydropyran 413.12
    tert-amyl methyl ether 154.99
    2,5,8-trioxanonane 173.3
    1-hexene 94.37
    2-isopropoxyethanol 133.21
    2,2,2-trifluoroethanol 127.88
    methyl butyrate 273.61

    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