Bis[2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl] terephthalate

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  • Identifiers

    CAS number
    57569-40-1

    Molecular formula
    C54H66O6

    SMILES
    CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)OC(=O)C3=CC=C(C=C3)C(=O)OC4=C(C=C(C=C4C(C)(C)C)C)CC5=C(C(=CC(=C5)C)C(C)(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Musk 48.07%
    Fruity 43.94%
    Woody 42.43%
    Dry 38.53%
    Floral 35.52%
    Amber 33.4%
    Animal 33.14%
    Phenolic 32.65%
    Leathery 32.33%
    Powdery 28.42%

     

    Flavor
    Bitter 58.15%
    Camphor 29.15%
    Woody 26.79%
    Phenolic 23.27%
    Bland 22.69%
    Mild 21.54%
    Parsley 20.91%
    Thymol 20.52%
    Eugenol 20.49%
    Cedarleaf 19.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    16.0

    pKa est.
    8.48 (weak base)

    Molecular weight
    811.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1504°C

    Flash point

    • 253.13 ˚C est.

  • Synonyms

    • 57569-40-1
    • EINECS 260-815-4
    • DTXSID8069195
    • 1,4-Benzenedicarboxylic acid, bis(2-(1,1-dimethylethyl)-6-((3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl)methyl)-4-methylphenyl) ester
    • 1,4-Benzenedicarboxylic acid, bis[2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl] ester
    • 1,4-Benzenedicarboxylic acid, 1,4-bis(2-(1,1-dimethylethyl)-6-((3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl)methyl)-4-methylphenyl) ester
    • Bis(2-(1,1-dimethylethyl)-6-((3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl)methyl)-4-methylphenyl) terephthalate
    • Bis[2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl] terephthalate
    • 1,4-Benzenedicarboxylic acid, 1,4-bis[2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl] ester
    • RefChem:568647
    • DTXCID6042238
    • 260-815-4
    • bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] benzene-1,4-dicarboxylate
    • Bis(2-(tert-butyl)-6-(3-(tert-butyl)-2-hydroxy-5-methylbenzyl)-4-methylphenyl) terephthalate
    • Bis{2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl} benzene-1,4-dicarboxylate
    • SCHEMBL97424
    • SCHEMBL29349870
    • SCHEMBL29381652
    • JWXSMZJIYUUXSV-UHFFFAOYSA-N
    • NS00033749
    • 57569-40-1

  • Applications

    Chemical name: Bis[2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl] terephthalate; CAS number: 57569-40-1 is typically used as a hindered phenolic antioxidant and stabilizer for polymer systems and coatings to improve thermal-oxidative stability during processing and service. It is commonly employed in plastics and polyester/polyolefin resins (e.g., PET, PC, and related engineering polymers) to reduce degradation during melt processing; it is also used as an additive in coatings and inks to extend durability and color stability; in adhesive and sealant formulations to enhance aging resistance; and may be evaluated for use in engineering resins and composite matrices where long-term stability is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.41
    methanol 13.63
    isopropanol 19.84
    water 0.04
    ethyl acetate 58.84
    n-propanol 27.32
    acetone 81.52
    n-butanol 23.19
    acetonitrile 28.5
    DMF 159.77
    toluene 30.3
    isobutanol 20.46
    1,4-dioxane 58.64
    methyl acetate 59.9
    THF 200.66
    2-butanone 86.07
    n-pentanol 21.68
    sec-butanol 24.64
    n-hexane 2.92
    ethylene glycol 5.69
    NMP 207.66
    cyclohexane 2.18
    DMSO 108.94
    n-butyl acetate 50.01
    n-octanol 15.01
    chloroform 191.01
    n-propyl acetate 41.74
    acetic acid 58.0
    dichloromethane 140.36
    cyclohexanone 102.22
    propylene glycol 13.01
    isopropyl acetate 43.97
    DMAc 184.96
    2-ethoxyethanol 41.15
    isopentanol 19.07
    n-heptane 2.47
    ethyl formate 42.65
    1,2-dichloroethane 76.72
    n-hexanol 21.25
    2-methoxyethanol 51.35
    isobutyl acetate 30.59
    tetrachloromethane 21.99
    n-pentyl acetate 53.04
    transcutol 61.54
    n-heptanol 17.67
    ethylbenzene 14.63
    MIBK 43.83
    2-propoxyethanol 67.19
    tert-butanol 21.95
    MTBE 30.07
    2-butoxyethanol 48.45
    propionic acid 42.83
    o-xylene 15.65
    formic acid 19.37
    diethyl ether 34.15
    m-xylene 17.2
    p-xylene 18.0
    chlorobenzene 51.03
    dimethyl carbonate 54.73
    n-octane 1.52
    formamide 29.65
    cyclopentanone 180.03
    2-pentanone 72.84
    anisole 31.57
    cyclopentyl methyl ether 61.24
    gamma-butyrolactone 188.36
    1-methoxy-2-propanol 58.13
    pyridine 87.76
    3-pentanone 60.74
    furfural 132.47
    n-dodecane 1.0
    diethylene glycol 29.54
    diisopropyl ether 9.75
    tert-amyl alcohol 26.13
    acetylacetone 93.89
    n-hexadecane 1.15
    acetophenone 44.37
    methyl propionate 72.26
    isopentyl acetate 45.01
    trichloroethylene 208.79
    n-nonanol 15.68
    cyclohexanol 20.92
    benzyl alcohol 30.89
    2-ethylhexanol 15.47
    isooctanol 15.17
    dipropyl ether 25.69
    1,2-dichlorobenzene 47.97
    ethyl lactate 29.9
    propylene carbonate 87.78
    n-methylformamide 65.03
    2-pentanol 18.61
    n-pentane 2.7
    1-propoxy-2-propanol 55.57
    1-methoxy-2-propyl acetate 70.17
    2-(2-methoxypropoxy) propanol 37.89
    mesitylene 8.09
    ε-caprolactone 101.85
    p-cymene 10.15
    epichlorohydrin 198.83
    1,1,1-trichloroethane 84.31
    2-aminoethanol 14.33
    morpholine-4-carbaldehyde 146.06
    sulfolane 229.42
    2,2,4-trimethylpentane 1.88
    2-methyltetrahydrofuran 93.89
    n-hexyl acetate 48.66
    isooctane 0.96
    2-(2-butoxyethoxy)ethanol 41.7
    sec-butyl acetate 30.39
    tert-butyl acetate 44.11
    decalin 1.8
    glycerin 19.16
    diglyme 75.76
    acrylic acid 45.6
    isopropyl myristate 16.09
    n-butyric acid 56.12
    acetyl acetate 43.63
    di(2-ethylhexyl) phthalate 19.83
    ethyl propionate 41.35
    nitromethane 126.53
    1,2-diethoxyethane 35.68
    benzonitrile 36.15
    trioctyl phosphate 17.25
    1-bromopropane 47.97
    gamma-valerolactone 216.36
    n-decanol 10.65
    triethyl phosphate 21.23
    4-methyl-2-pentanol 12.09
    propionitrile 32.36
    vinylene carbonate 84.58
    1,1,2-trichlorotrifluoroethane 139.32
    DMS 51.91
    cumene 9.14
    2-octanol 13.61
    2-hexanone 52.59
    octyl acetate 23.74
    limonene 13.74
    1,2-dimethoxyethane 66.64
    ethyl orthosilicate 19.04
    tributyl phosphate 19.95
    diacetone alcohol 53.17
    N,N-dimethylaniline 24.11
    acrylonitrile 45.51
    aniline 34.74
    1,3-propanediol 20.39
    bromobenzene 48.27
    dibromomethane 89.96
    1,1,2,2-tetrachloroethane 150.61
    2-methyl-cyclohexyl acetate 31.02
    tetrabutyl urea 29.82
    diisobutyl methanol 8.94
    2-phenylethanol 32.61
    styrene 16.36
    dioctyl adipate 26.89
    dimethyl sulfate 108.59
    ethyl butyrate 36.24
    methyl lactate 48.54
    butyl lactate 44.48
    diethyl carbonate 23.41
    propanediol butyl ether 35.36
    triethyl orthoformate 29.34
    p-tert-butyltoluene 9.42
    methyl 4-tert-butylbenzoate 50.83
    morpholine 81.87
    tert-butylamine 11.97
    n-dodecanol 7.12
    dimethoxymethane 96.84
    ethylene carbonate 61.45
    cyrene 52.39
    2-ethoxyethyl acetate 71.44
    2-ethylhexyl acetate 37.5
    1,2,4-trichlorobenzene 63.68
    4-methylpyridine 84.87
    dibutyl ether 16.88
    2,6-dimethyl-4-heptanol 8.94
    DEF 81.76
    dimethyl isosorbide 74.85
    tetrachloroethylene 79.64
    eugenol 42.68
    triacetin 51.27
    span 80 36.89
    1,4-butanediol 11.36
    1,1-dichloroethane 81.21
    2-methyl-1-pentanol 18.97
    methyl formate 59.42
    2-methyl-1-butanol 21.78
    n-decane 2.11
    butyronitrile 32.02
    3,7-dimethyl-1-octanol 12.98
    1-chlorooctane 11.28
    1-chlorotetradecane 3.75
    n-nonane 1.88
    undecane 1.38
    tert-butylcyclohexane 1.82
    cyclooctane 1.01
    cyclopentanol 36.22
    tetrahydropyran 57.4
    tert-amyl methyl ether 30.77
    2,5,8-trioxanonane 44.35
    1-hexene 12.85
    2-isopropoxyethanol 32.36
    2,2,2-trifluoroethanol 32.98
    methyl butyrate 51.51

    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