Bis(2,6-di-tert-butyl-4-methylphenyl)pentaerythritol diphosphite

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  • Identifiers

    CAS number
    80693-00-1

    Molecular formula
    C35H54O6P2

    SMILES
    CC1=CC(=C(C(=C1)C(C)(C)C)OP2OCC3(CO2)COP(OC3)OC4=C(C=C(C=C4C(C)(C)C)C)C(C)(C)C)C(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 58.28%
    Musk 39.44%
    Amber 38.52%
    Dry 38.38%
    Vetiver 32.35%
    Leathery 31.71%
    Green 31.46%
    Floral 30.36%
    Spicy 28.76%
    Animal 28.5%

     

    Flavor
    Bitter 37.28%
    Earth 29.38%
    Camphor 28.84%
    Musty 27.63%
    Earthy 23.42%
    Spice 22.09%
    Green pepper 21.92%
    Mild 21.7%
    Carrot 21.33%
    Pepper 20.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.6

    pKa est.
    5.93 (weak acid)

    Molecular weight
    632.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    785°C

    Flash point

    • 211.59 ˚C est.

  • Synonyms

    • 80693-00-1
    • bis(2,6-di-tert-butyl-4-methylphenyl)pentaerythritol diphosphite
    • 3,9-BIS(2,6-DI-TERT-BUTYL-4-METHYLPHENOXY)-2,4,8,10-TETRAOXA-3,9-DIPHOSPHASPIRO[5.5]UNDECANE
    • 7SWK0D7KBU
    • EC 410-290-4
    • 2,4,8,10-Tetraoxa-3,9-diphosphaspiro(5.5)undecane, 3,9-bis(2,6-bis(1,1-dimethylethyl)-4-methylphenoxy)-
    • 3,9-Bis(2,6-di-tert-butyl-4-methylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro(5.5)undecane
    • 2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis[2,6-bis(1,1-dimethylethyl)-4-methylphenoxy]-
    • di(2,6-di-tert-butyl-4-methylphenyl)pentaerythritol diphosphite
    • PENTAERYTHRITOL BIS((2,6-DI-TERT-BUTYL-4-METHYLPHENYL)PHOSPHITE)
    • RefChem:568628
    • 410-290-4
    • 617-146-1
    • Bis(2,6-di-ter-butyl-4-methylphenyl)pentaerythritol-diphosphite
    • MFCD00513695
    • ADKStabPEP36
    • 3,9-bis(2,6-ditert-butyl-4-methylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
    • UNII-7SWK0D7KBU
    • SSADPHQCUURWSW-UHFFFAOYSA-N
    • C35H54O6P2
    • SCHEMBL85823
    • AH-034/32855054
    • FDA69300
    • AKOS037643359
    • 3,9-bis(2,6-ditert-butyl-4-methyl-phenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
    • AS-15300
    • CS-0204998
    • NS00003233
    • NS00076929
    • Q27268801
    • Bis(2,6-di-ter-butyl-4-methylphenyl)pentaerythritol-diphosphite?
    • 3,9-Bis(2,6-di-tert-butyl-4-methylphenoxy)-2,4(8),10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
    • 80693-00-1

  • Applications

    Bis(2,6-di-tert-butyl-4-methylphenyl)pentaerythritol diphosphite (CAS 80693-00-1) is a hindered aryl phosphite antioxidant used as a processing stabilizer in polymer resins and lubricants. It primarily acts as a hydroperoxide decomposer and radical scavenger to suppress thermo-oxidative degradation during melt processing. Typical applications include stabilization of polyolefins such as polyethylene and polypropylene and vinyl polymers like PVC during compounding and extrusion; protection of lubricating oils and industrial fluids against oxidation; and improving the thermal- and light-stability of coatings and inks. It may be used in adhesives and sealants to enhance heat resistance and can be considered for high-temperature resin systems, usually as part of a synergistic stabilizer package with other antioxidants, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.0
    methanol 1.53
    isopropanol 5.14
    water 0.08
    ethyl acetate 12.72
    n-propanol 7.12
    acetone 17.84
    n-butanol 6.96
    acetonitrile 6.4
    DMF 33.15
    toluene 16.94
    isobutanol 7.14
    1,4-dioxane 13.95
    methyl acetate 13.93
    THF 58.69
    2-butanone 22.96
    n-pentanol 9.31
    sec-butanol 7.99
    n-hexane 1.05
    ethylene glycol 1.18
    NMP 111.19
    cyclohexane 1.05
    DMSO 19.74
    n-butyl acetate 20.71
    n-octanol 8.19
    chloroform 120.21
    n-propyl acetate 18.47
    acetic acid 16.16
    dichloromethane 63.58
    cyclohexanone 40.58
    propylene glycol 4.78
    isopropyl acetate 13.22
    DMAc 57.98
    2-ethoxyethanol 14.21
    isopentanol 7.22
    n-heptane 1.48
    ethyl formate 11.34
    1,2-dichloroethane 25.51
    n-hexanol 9.11
    2-methoxyethanol 10.85
    isobutyl acetate 17.07
    tetrachloromethane 11.09
    n-pentyl acetate 26.89
    transcutol 27.18
    n-heptanol 9.99
    ethylbenzene 8.58
    MIBK 15.7
    2-propoxyethanol 23.58
    tert-butanol 8.43
    MTBE 9.51
    2-butoxyethanol 24.71
    propionic acid 14.92
    o-xylene 10.26
    formic acid 4.02
    diethyl ether 6.49
    m-xylene 13.14
    p-xylene 13.36
    chlorobenzene 28.4
    dimethyl carbonate 14.51
    n-octane 0.77
    formamide 6.23
    cyclopentanone 73.48
    2-pentanone 20.54
    anisole 15.37
    cyclopentyl methyl ether 27.73
    gamma-butyrolactone 79.13
    1-methoxy-2-propanol 18.54
    pyridine 37.11
    3-pentanone 16.89
    furfural 61.75
    n-dodecane 0.51
    diethylene glycol 7.8
    diisopropyl ether 3.27
    tert-amyl alcohol 10.94
    acetylacetone 24.61
    n-hexadecane 0.59
    acetophenone 26.44
    methyl propionate 19.25
    isopentyl acetate 20.73
    trichloroethylene 105.59
    n-nonanol 8.41
    cyclohexanol 10.53
    benzyl alcohol 18.29
    2-ethylhexanol 9.14
    isooctanol 9.65
    dipropyl ether 10.67
    1,2-dichlorobenzene 29.67
    ethyl lactate 15.28
    propylene carbonate 45.75
    n-methylformamide 12.94
    2-pentanol 7.2
    n-pentane 0.94
    1-propoxy-2-propanol 26.22
    1-methoxy-2-propyl acetate 28.57
    2-(2-methoxypropoxy) propanol 22.26
    mesitylene 6.61
    ε-caprolactone 44.86
    p-cymene 8.59
    epichlorohydrin 69.06
    1,1,1-trichloroethane 38.51
    2-aminoethanol 3.71
    morpholine-4-carbaldehyde 51.84
    sulfolane 103.86
    2,2,4-trimethylpentane 1.05
    2-methyltetrahydrofuran 34.81
    n-hexyl acetate 23.18
    isooctane 0.62
    2-(2-butoxyethoxy)ethanol 23.47
    sec-butyl acetate 14.63
    tert-butyl acetate 17.45
    decalin 1.2
    glycerin 6.37
    diglyme 34.5
    acrylic acid 15.95
    isopropyl myristate 8.06
    n-butyric acid 19.47
    acetyl acetate 10.63
    di(2-ethylhexyl) phthalate 13.72
    ethyl propionate 14.9
    nitromethane 24.78
    1,2-diethoxyethane 13.05
    benzonitrile 21.18
    trioctyl phosphate 10.07
    1-bromopropane 15.49
    gamma-valerolactone 84.29
    n-decanol 5.47
    triethyl phosphate 11.18
    4-methyl-2-pentanol 5.84
    propionitrile 8.74
    vinylene carbonate 39.68
    1,1,2-trichlorotrifluoroethane 61.02
    DMS 17.43
    cumene 6.7
    2-octanol 7.9
    2-hexanone 22.09
    octyl acetate 11.29
    limonene 9.51
    1,2-dimethoxyethane 19.9
    ethyl orthosilicate 11.32
    tributyl phosphate 10.48
    diacetone alcohol 23.41
    N,N-dimethylaniline 16.05
    acrylonitrile 11.94
    aniline 18.61
    1,3-propanediol 5.07
    bromobenzene 32.44
    dibromomethane 38.93
    1,1,2,2-tetrachloroethane 82.63
    2-methyl-cyclohexyl acetate 20.03
    tetrabutyl urea 16.38
    diisobutyl methanol 5.3
    2-phenylethanol 19.88
    styrene 9.42
    dioctyl adipate 13.83
    dimethyl sulfate 34.54
    ethyl butyrate 15.78
    methyl lactate 16.96
    butyl lactate 28.7
    diethyl carbonate 9.84
    propanediol butyl ether 23.86
    triethyl orthoformate 15.89
    p-tert-butyltoluene 9.03
    methyl 4-tert-butylbenzoate 33.95
    morpholine 22.59
    tert-butylamine 4.69
    n-dodecanol 3.57
    dimethoxymethane 20.43
    ethylene carbonate 27.0
    cyrene 40.74
    2-ethoxyethyl acetate 28.66
    2-ethylhexyl acetate 19.07
    1,2,4-trichlorobenzene 46.26
    4-methylpyridine 38.36
    dibutyl ether 7.1
    2,6-dimethyl-4-heptanol 5.3
    DEF 24.27
    dimethyl isosorbide 47.11
    tetrachloroethylene 40.66
    eugenol 28.91
    triacetin 28.52
    span 80 24.22
    1,4-butanediol 4.16
    1,1-dichloroethane 29.87
    2-methyl-1-pentanol 9.97
    methyl formate 12.56
    2-methyl-1-butanol 8.65
    n-decane 1.04
    butyronitrile 9.46
    3,7-dimethyl-1-octanol 7.74
    1-chlorooctane 5.96
    1-chlorotetradecane 1.86
    n-nonane 0.95
    undecane 0.7
    tert-butylcyclohexane 1.36
    cyclooctane 0.62
    cyclopentanol 18.33
    tetrahydropyran 16.76
    tert-amyl methyl ether 11.29
    2,5,8-trioxanonane 22.75
    1-hexene 4.57
    2-isopropoxyethanol 15.54
    2,2,2-trifluoroethanol 11.24
    methyl butyrate 20.29

    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