Hexamethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)

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  • Identifiers

    CAS number
    35074-77-2

    Molecular formula
    C40H62O6

    SMILES
    CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCCCCCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 62.59%
    Floral 61.21%
    Fruity 59.26%
    Musk 38.94%
    Dry 38.76%
    Green 37.86%
    Balsamic 34.83%
    Amber 34.82%
    Powdery 33.93%
    Rose 33.58%

     

    Flavor
    Bitter 39.64%
    Woody 35.59%
    Herbal 30.65%
    Mild 28.31%
    Camphor 27.41%
    Musty 22.32%
    Bland 21.2%
    Parsley 21.15%
    Heather 21.12%
    Genet 21.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.2

    pKa est.
    6.45 (neutral)

    Molecular weight
    638.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    789°C

    Flash point

    • 240.96 ˚C est.

  • Synonyms

    • 35074-77-2
    • Irganox 259
    • Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
    • Irganox 249
    • EINECS 252-346-9
    • Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,6-hexanediyl ester
    • U7W3Z36N61
    • ANTIOXIDANT 259
    • Hexamethylene bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)
    • Hexamethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)
    • DTXSID0027985
    • 1,6-Hexamethylenebis(3,5-tert-butyl-4-hydroxyhydrocinnamate)
    • EC 252-346-9
    • Hexamethylene bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)
    • 1,6-Hexanediyl 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoate
    • Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(1,6-hexanediyl) ester
    • 1,6-Hexanediyl bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamte)
    • 1,6-hexanediol bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
    • 1,6-hexanediol bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)
    • HEXAMETHYLENE 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE
    • 1,6-BIS(3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONYLOXY)HEXANE
    • 1,6-HEXAMETHYLENE BIS(3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMATE)
    • 1,6-BIS(.BETA.-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONYLOXY)HEXANE
    • 1,6-HEXANEDIOL BIS(.BETA.-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE)
    • 1,6-HEXANEDIYL-BIS(3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYBENZENEPROPANOATE)
    • HEXAMETHYLENE BIS(.BETA.-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE)
    • HEXAMETHYLENE GLYCOL BIS(3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE)
    • 1,6-Hexanediyl bis[3,5-di-tert-butyl-4-hydroxyhydrocinnamte]
    • RefChem:786233
    • DTXCID907985
    • 1,6-BIS(BETA-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONYLOXY)HEXANE
    • 1,6-HEXANEDIOL BIS(BETA-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE)
    • HEXAMETHYLENE BIS(BETA-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE)
    • 252-346-9
    • Hexane-1,6-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)
    • MFCD00134695
    • C40H62O6
    • Benzenepropanoic acid,3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(1,6-hexanediyl) ester
    • 6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
    • hexane-1,6-diyl bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate]
    • UNII-U7W3Z36N61
    • SCHEMBL30331
    • AKOS030574098
    • MSK161945-100H
    • BS-49077
    • SY283773
    • CS-0160304
    • Irganox 259 Solution in Hexane, 100ug/mL
    • NS00005761
    • D70302
    • 074H772
    • F552565
    • Q27290802
    • 1,6-hexanediol-bis-[3-(3,5-di-t-butyl-4-hydroxyphenyl)propionate]
    • 1,6-hexanediol-bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate]
    • Hexane-1,6-diylbis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)
    • HEXAMETHYLENE BIS [3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL) PROPIONATE]
    • HEXAMETHYLENEGLYCOL BIS(BETA-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE)
    • 6-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate
    • 35074-77-2

  • Applications

    Hexamethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate) is a bisphenolic antioxidant/stabilizer used to scavenge radicals and inhibit thermo-oxidative degradation in polymers and related formulations. It is commonly applied in polymers/plastics (polyolefins, engineering resins) to improve processing stability and long-term performance; in coatings and inks to extend color and gloss retention; in adhesive and sealant systems to enhance thermal stability during cure and service; in lubricants and lubricant blends to protect against oxidation at elevated temperatures; and in electronics-related encapsulants and potting compounds to improve the thermal-oxidative stability of polymer packages.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 94.78
    methanol 44.38
    isopropanol 46.63
    water 0.04
    ethyl acetate 21.08
    n-propanol 86.82
    acetone 68.23
    n-butanol 56.86
    acetonitrile 18.56
    DMF 105.01
    toluene 21.95
    isobutanol 46.75
    1,4-dioxane 62.11
    methyl acetate 21.55
    THF 249.42
    2-butanone 69.6
    n-pentanol 65.37
    sec-butanol 49.93
    n-hexane 3.93
    ethylene glycol 5.07
    NMP 138.83
    cyclohexane 2.31
    DMSO 124.73
    n-butyl acetate 30.08
    n-octanol 26.36
    chloroform 116.05
    n-propyl acetate 35.76
    acetic acid 42.95
    dichloromethane 97.76
    cyclohexanone 93.06
    propylene glycol 21.01
    isopropyl acetate 17.38
    DMAc 120.93
    2-ethoxyethanol 82.11
    isopentanol 32.34
    n-heptane 2.32
    ethyl formate 32.65
    1,2-dichloroethane 58.64
    n-hexanol 34.34
    2-methoxyethanol 81.67
    isobutyl acetate 28.86
    tetrachloromethane 12.4
    n-pentyl acetate 47.93
    transcutol 85.11
    n-heptanol 30.84
    ethylbenzene 16.46
    MIBK 26.85
    2-propoxyethanol 79.27
    tert-butanol 26.9
    MTBE 23.58
    2-butoxyethanol 72.8
    propionic acid 30.12
    o-xylene 9.78
    formic acid 15.27
    diethyl ether 29.55
    m-xylene 10.56
    p-xylene 20.58
    chlorobenzene 33.6
    dimethyl carbonate 11.13
    n-octane 1.69
    formamide 25.0
    cyclopentanone 134.09
    2-pentanone 48.85
    anisole 32.85
    cyclopentyl methyl ether 48.94
    gamma-butyrolactone 103.09
    1-methoxy-2-propanol 68.51
    pyridine 96.52
    3-pentanone 30.81
    furfural 80.02
    n-dodecane 0.96
    diethylene glycol 28.02
    diisopropyl ether 5.07
    tert-amyl alcohol 32.02
    acetylacetone 38.26
    n-hexadecane 1.09
    acetophenone 38.73
    methyl propionate 25.69
    isopentyl acetate 27.12
    trichloroethylene 103.25
    n-nonanol 26.79
    cyclohexanol 30.61
    benzyl alcohol 42.71
    2-ethylhexanol 18.84
    isooctanol 23.48
    dipropyl ether 24.27
    1,2-dichlorobenzene 25.44
    ethyl lactate 21.04
    propylene carbonate 41.91
    n-methylformamide 53.56
    2-pentanol 25.4
    n-pentane 2.59
    1-propoxy-2-propanol 56.17
    1-methoxy-2-propyl acetate 31.01
    2-(2-methoxypropoxy) propanol 38.11
    mesitylene 4.88
    ε-caprolactone 75.48
    p-cymene 7.79
    epichlorohydrin 140.48
    1,1,1-trichloroethane 37.72
    2-aminoethanol 29.56
    morpholine-4-carbaldehyde 105.82
    sulfolane 138.84
    2,2,4-trimethylpentane 1.21
    2-methyltetrahydrofuran 98.4
    n-hexyl acetate 45.49
    isooctane 0.66
    2-(2-butoxyethoxy)ethanol 57.73
    sec-butyl acetate 20.83
    tert-butyl acetate 19.45
    decalin 2.14
    glycerin 18.21
    diglyme 86.51
    acrylic acid 22.72
    isopropyl myristate 13.58
    n-butyric acid 43.3
    acetyl acetate 11.1
    di(2-ethylhexyl) phthalate 20.0
    ethyl propionate 22.87
    nitromethane 50.93
    1,2-diethoxyethane 43.34
    benzonitrile 32.3
    trioctyl phosphate 14.94
    1-bromopropane 44.07
    gamma-valerolactone 175.16
    n-decanol 16.74
    triethyl phosphate 11.37
    4-methyl-2-pentanol 11.5
    propionitrile 26.55
    vinylene carbonate 35.58
    1,1,2-trichlorotrifluoroethane 76.07
    DMS 17.29
    cumene 10.3
    2-octanol 22.26
    2-hexanone 61.28
    octyl acetate 20.89
    limonene 10.26
    1,2-dimethoxyethane 94.09
    ethyl orthosilicate 12.62
    tributyl phosphate 14.54
    diacetone alcohol 33.67
    N,N-dimethylaniline 28.84
    acrylonitrile 29.34
    aniline 29.01
    1,3-propanediol 41.14
    bromobenzene 31.5
    dibromomethane 72.79
    1,1,2,2-tetrachloroethane 92.18
    2-methyl-cyclohexyl acetate 26.59
    tetrabutyl urea 26.89
    diisobutyl methanol 7.03
    2-phenylethanol 35.22
    styrene 18.44
    dioctyl adipate 22.41
    dimethyl sulfate 21.61
    ethyl butyrate 22.35
    methyl lactate 18.95
    butyl lactate 42.21
    diethyl carbonate 11.11
    propanediol butyl ether 62.5
    triethyl orthoformate 20.0
    p-tert-butyltoluene 7.11
    methyl 4-tert-butylbenzoate 37.42
    morpholine 115.71
    tert-butylamine 12.69
    n-dodecanol 10.07
    dimethoxymethane 59.84
    ethylene carbonate 29.47
    cyrene 58.42
    2-ethoxyethyl acetate 51.17
    2-ethylhexyl acetate 23.56
    1,2,4-trichlorobenzene 33.94
    4-methylpyridine 71.87
    dibutyl ether 22.94
    2,6-dimethyl-4-heptanol 7.03
    DEF 47.04
    dimethyl isosorbide 64.41
    tetrachloroethylene 47.63
    eugenol 40.33
    triacetin 30.91
    span 80 42.59
    1,4-butanediol 24.41
    1,1-dichloroethane 48.59
    2-methyl-1-pentanol 40.62
    methyl formate 32.05
    2-methyl-1-butanol 39.38
    n-decane 2.35
    butyronitrile 34.78
    3,7-dimethyl-1-octanol 16.49
    1-chlorooctane 13.06
    1-chlorotetradecane 3.76
    n-nonane 2.1
    undecane 1.44
    tert-butylcyclohexane 2.13
    cyclooctane 0.79
    cyclopentanol 54.39
    tetrahydropyran 80.84
    tert-amyl methyl ether 20.51
    2,5,8-trioxanonane 48.2
    1-hexene 20.0
    2-isopropoxyethanol 54.8
    2,2,2-trifluoroethanol 11.41
    methyl butyrate 38.66

    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