Diethyl ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate

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  • Identifiers

    CAS number
    976-56-7

    Molecular formula
    C19H33O4P

    SMILES
    CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OCC

    Safety labels

  • Odor profile

    Fragrance
    Floral 56.72%
    Woody 52.79%
    Fruity 51.18%
    Green 45.59%
    Dry 35.04%
    Herbal 32.28%
    Balsamic 30.79%
    Musk 30.29%
    Rose 29.74%
    Sweet 29.14%

     

    Flavor
    Bitter 31.8%
    Mild 29.32%
    Woody 27.78%
    Green 26.82%
    Herbal 23.82%
    Fruity 23.2%
    Musty 22.58%
    Green pepper 21.72%
    Camphor 21.63%
    Heather 21.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.11 (neutral)

    Molecular weight
    356.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    470°C

    Flash point

    • 182.32 ˚C est.

  • Synonyms

    • Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl ester
    • DTXSID7061356
    • Diethyl ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate
    • Phosphonic acid, ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, diethyl ester
    • diethyl [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate
    • Phosphonic acid, P-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, diethyl ester
    • Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl ester
    • RefChem:586974
    • DTXCID4049036
    • Phosphonic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxyphenylmethyl-, diethyl ester
    • 976-56-7
    • Diethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate
    • Diethyl 3,5-di-tert-butyl-4-hydroxybenzyl phosphate
    • 2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol
    • MFCD00227871
    • Irganox 1222
    • NSC635180
    • diethyl [(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]phosphonate
    • ANTIOXIDANT 1222
    • Diethyl 35-Di-tert-butyl-4-hydroxybenzylphosphonate
    • V6MOU97T5J
    • Heat Stabilizer 3114; Irgamod 295; NSC 635180
    • C19H33O4P
    • EINECS 213-551-9
    • UNII-V6MOU97T5J
    • Irganox1222
    • SCHEMBL39364
    • diethyl 3,5-di-t-butyl-4-hydroxybenzylphosphonate
    • diethyl (3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate
    • MSK3129
    • STK365464
    • AKOS004912739
    • NSC-635180
    • AS-70580
    • ST091263
    • SY051205
    • DB-057681
    • D2967
    • EU-0001821
    • NS00015579
    • H10954
    • 976D567
    • SR-01000402272
    • Diethyl3,5-di-tert-butyl-4-hydroxybenzylphosphonate
    • SR-01000402272-1
    • diethyl 4-hydroxy-3,5-di-tert-butylbenzylphosphonate
    • Q27291597
    • (3,5-ditert-butyl-4-hydroxy-phenyl)methyl diethyl phosphate
    • 3,5-Di-tert-butyl-4-hydroxybenzylphosphonic Acid Diethyl Ester
    • 3,5-di-tert. butyl-4-hydroxybenzyl-phosphonic acid diethyl ester
    • {[3,5-bis(tert-butyl)-4-hydroxyphenyl]methyl}diethoxyphosphino-1-one
    • BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYL)PHOSPHONIC ACID DIETHYL ESTER, ((3,5-
    • 976-56-7

  • Applications

    Diethyl ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate, CAS 976-56-7, is primarily used as a stabilizing additive in polymer and coating formulations, functioning as a hindered phenolic antioxidant that scavenges free radicals during processing and service life. The phosphonate moiety also enables it to act as a phosphorus-containing flame-retardant additive, improving fire performance in plastics, adhesives, and coatings. It is commonly employed as an intermediate in the synthesis of more specialized stabilizers and flame retardants, and may be used in UV/thermal aging protection for polymers as well as in inks and coatings to enhance aging resistance. Its compatibility with organic matrices supports applications in polymers/plastics, coatings/inks, adhesives, and electronics where stabilization and flame retardancy are sought.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 182.57
    methanol 135.03
    isopropanol 164.18
    water 0.36
    ethyl acetate 229.09
    n-propanol 222.68
    acetone 295.8
    n-butanol 203.01
    acetonitrile 147.74
    DMF 622.91
    toluene 190.82
    isobutanol 175.32
    1,4-dioxane 313.62
    methyl acetate 246.15
    THF 599.52
    2-butanone 337.36
    n-pentanol 196.36
    sec-butanol 223.83
    n-hexane 66.39
    ethylene glycol 32.15
    NMP 709.94
    cyclohexane 81.73
    DMSO 430.93
    n-butyl acetate 248.33
    n-octanol 138.6
    chloroform 1130.69
    n-propyl acetate 217.96
    acetic acid 219.96
    dichloromethane 820.19
    cyclohexanone 510.7
    propylene glycol 96.69
    isopropyl acetate 163.73
    DMAc 574.12
    2-ethoxyethanol 209.6
    isopentanol 155.85
    n-heptane 41.96
    ethyl formate 192.17
    1,2-dichloroethane 509.81
    n-hexanol 233.52
    2-methoxyethanol 243.11
    isobutyl acetate 155.49
    tetrachloromethane 147.19
    n-pentyl acetate 230.86
    transcutol 328.1
    n-heptanol 141.7
    ethylbenzene 120.34
    MIBK 159.25
    2-propoxyethanol 296.54
    tert-butanol 166.04
    MTBE 186.3
    2-butoxyethanol 207.02
    propionic acid 219.99
    o-xylene 130.02
    formic acid 80.39
    diethyl ether 235.55
    m-xylene 122.91
    p-xylene 150.48
    chlorobenzene 318.44
    dimethyl carbonate 144.85
    n-octane 20.91
    formamide 118.75
    cyclopentanone 593.76
    2-pentanone 272.79
    anisole 181.48
    cyclopentyl methyl ether 344.77
    gamma-butyrolactone 585.58
    1-methoxy-2-propanol 250.97
    pyridine 381.26
    3-pentanone 256.53
    furfural 467.98
    n-dodecane 12.3
    diethylene glycol 149.86
    diisopropyl ether 86.21
    tert-amyl alcohol 208.78
    acetylacetone 252.99
    n-hexadecane 14.14
    acetophenone 209.99
    methyl propionate 247.88
    isopentyl acetate 214.69
    trichloroethylene 975.64
    n-nonanol 124.85
    cyclohexanol 245.51
    benzyl alcohol 175.08
    2-ethylhexanol 147.11
    isooctanol 116.34
    dipropyl ether 150.2
    1,2-dichlorobenzene 284.72
    ethyl lactate 134.44
    propylene carbonate 375.05
    n-methylformamide 265.84
    2-pentanol 172.39
    n-pentane 61.31
    1-propoxy-2-propanol 233.61
    1-methoxy-2-propyl acetate 241.81
    2-(2-methoxypropoxy) propanol 175.92
    mesitylene 75.77
    ε-caprolactone 464.86
    p-cymene 83.07
    epichlorohydrin 608.56
    1,1,1-trichloroethane 468.25
    2-aminoethanol 100.87
    morpholine-4-carbaldehyde 498.58
    sulfolane 713.91
    2,2,4-trimethylpentane 32.5
    2-methyltetrahydrofuran 464.55
    n-hexyl acetate 274.81
    isooctane 17.57
    2-(2-butoxyethoxy)ethanol 194.12
    sec-butyl acetate 151.74
    tert-butyl acetate 168.44
    decalin 37.9
    glycerin 111.73
    diglyme 336.49
    acrylic acid 192.6
    isopropyl myristate 94.98
    n-butyric acid 277.89
    acetyl acetate 164.93
    di(2-ethylhexyl) phthalate 113.77
    ethyl propionate 186.34
    nitromethane 365.6
    1,2-diethoxyethane 163.28
    benzonitrile 204.39
    trioctyl phosphate 93.39
    1-bromopropane 345.22
    gamma-valerolactone 650.75
    n-decanol 87.29
    triethyl phosphate 115.75
    4-methyl-2-pentanol 100.37
    propionitrile 164.89
    vinylene carbonate 340.15
    1,1,2-trichlorotrifluoroethane 474.71
    DMS 213.22
    cumene 83.41
    2-octanol 112.94
    2-hexanone 233.41
    octyl acetate 134.63
    limonene 122.08
    1,2-dimethoxyethane 299.46
    ethyl orthosilicate 111.65
    tributyl phosphate 105.16
    diacetone alcohol 204.0
    N,N-dimethylaniline 165.03
    acrylonitrile 198.33
    aniline 199.01
    1,3-propanediol 132.87
    bromobenzene 324.19
    dibromomethane 613.61
    1,1,2,2-tetrachloroethane 856.62
    2-methyl-cyclohexyl acetate 197.54
    tetrabutyl urea 143.43
    diisobutyl methanol 75.03
    2-phenylethanol 197.3
    styrene 136.95
    dioctyl adipate 147.8
    dimethyl sulfate 273.7
    ethyl butyrate 172.58
    methyl lactate 159.1
    butyl lactate 191.38
    diethyl carbonate 129.27
    propanediol butyl ether 206.76
    triethyl orthoformate 149.14
    p-tert-butyltoluene 82.16
    methyl 4-tert-butylbenzoate 212.45
    morpholine 433.36
    tert-butylamine 121.87
    n-dodecanol 63.68
    dimethoxymethane 296.07
    ethylene carbonate 280.18
    cyrene 237.4
    2-ethoxyethyl acetate 248.86
    2-ethylhexyl acetate 199.2
    1,2,4-trichlorobenzene 352.54
    4-methylpyridine 410.87
    dibutyl ether 114.92
    2,6-dimethyl-4-heptanol 75.03
    DEF 322.74
    dimethyl isosorbide 296.52
    tetrachloroethylene 457.62
    eugenol 187.71
    triacetin 241.44
    span 80 191.04
    1,4-butanediol 87.25
    1,1-dichloroethane 465.06
    2-methyl-1-pentanol 168.79
    methyl formate 201.33
    2-methyl-1-butanol 192.75
    n-decane 26.04
    butyronitrile 184.8
    3,7-dimethyl-1-octanol 111.46
    1-chlorooctane 108.29
    1-chlorotetradecane 35.79
    n-nonane 26.54
    undecane 17.0
    tert-butylcyclohexane 32.91
    cyclooctane 31.0
    cyclopentanol 264.42
    tetrahydropyran 429.08
    tert-amyl methyl ether 191.46
    2,5,8-trioxanonane 209.06
    1-hexene 158.91
    2-isopropoxyethanol 171.52
    2,2,2-trifluoroethanol 121.34
    methyl butyrate 241.82

    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