Lithium 2,2'-methylenebis(4,6-di-tert-butylphenyl)phosphate

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  • Identifiers

    CAS number
    85209-93-4

    Molecular formula
    C29H42LiO4P

    SMILES
    [Li+].CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(=O)(OC3=C(C2)C=C(C=C3C(C)(C)C)C(C)(C)C)[O-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 47.68%
    Dry 41.61%
    Phenolic 40.83%
    Leathery 37.74%
    Musk 36.08%
    Spicy 33.15%
    Camphoreous 32.47%
    Amber 30.91%
    Animal 29.47%
    Vetiver 26.28%

     

    Flavor
    Camphor 42.45%
    Woody 38.52%
    Phenolic 36.15%
    Musty 32.82%
    Mild 23.93%
    Herbal 22.88%
    Leather 22.51%
    Spice 22.27%
    Medicinal 22.01%
    Creosote 21.49%

     

  • Properties

    pKa est.
    -15.64 (strong acid)

    Molecular weight
    492.6 g/mol

    Flash point

    • -126.26 ˚C est.

  • Synonyms

    • 85209-93-4
    • UNII-44NZC3J899
    • Lithium 2,2'-methylenebis(4,6-di-tert-butylphenyl)phosphate
    • 44NZC3J899
    • DTXSID1074886
    • 12H-Dibenzo(d,g)(1,3,2)dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-hydroxy-, 6-oxide, lithium salt
    • 2,2'-METHYLENEBIS(4,6-DI-TERT-BUTYLPHENOL) PHOSPHATE LITHIUM SALT
    • 12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-hydroxy-, 6-oxide, lithium salt
    • RefChem:153682
    • DTXCID0048472
    • 22METHYLENEBIS46DITERTBUTYLPHENYLLITHIUMPHOSPHATE
    • 12H-Dibenzo(d,g)(1,3,2)dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-hydroxy-, 6-oxide, lithium salt (1:1)
    • 12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-hydroxy-, 6-oxide, lithium salt (1:1)
    • SCHEMBL1132178
    • SCHEMBL29372625
    • UADIOTAIECKQLQ-UHFFFAOYSA-M
    • NS00112935
    • Q27258753
    • Lithium 2,4,8,10-tetra-tert-butyl-6-oxo-6H,12H-6lambda~5~-dibenzo[d,g][1,3,2]dioxaphosphocin-6-olate
    • 85209-93-4

  • Applications

    Lithium 2,2'-methylenebis(4,6-di-tert-butylphenyl)phosphate (CAS 85209-93-4) is primarily used as a heat stabilizer and flame-retardant additive for polymers, notably polyolefins and engineering plastics, to enhance thermal stability and fire performance of polymer systems. It is commonly formulated as an antioxidant/stabilizer in coatings, paints, and printing inks to improve fire resistance and thermal stability of the coating matrix. Additionally, the compound serves as a stabilizer and processing aid in adhesives and sealants, helping to improve heat resistance and flame retardancy of bonded joints. In electronics, it may be employed as a flame-retardant additive in encapsulation resins and cable jackets to enhance fire safety. It is also evaluated as a stabilizer in polymer processing and recycling streams to reduce thermal degradation and extend plastic lifespan.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.55
    methanol 30.16
    isopropanol 19.21
    water 0.29
    ethyl acetate 15.78
    n-propanol 21.71
    acetone 28.98
    n-butanol 18.96
    acetonitrile 18.94
    DMF 40.0
    toluene 6.66
    isobutanol 13.95
    1,4-dioxane 28.46
    methyl acetate 16.73
    THF 34.15
    2-butanone 19.43
    n-pentanol 14.13
    sec-butanol 16.16
    n-hexane 4.18
    ethylene glycol 11.8
    NMP 34.73
    cyclohexane 3.41
    DMSO 39.08
    n-butyl acetate 16.62
    n-octanol 11.41
    chloroform 21.55
    n-propyl acetate 11.58
    acetic acid 26.37
    dichloromethane 17.53
    cyclohexanone 25.44
    propylene glycol 11.52
    isopropyl acetate 8.51
    DMAc 20.18
    2-ethoxyethanol 16.08
    isopentanol 13.89
    n-heptane 3.73
    ethyl formate 10.05
    1,2-dichloroethane 14.02
    n-hexanol 20.29
    2-methoxyethanol 27.61
    isobutyl acetate 7.32
    tetrachloromethane 5.0
    n-pentyl acetate 9.21
    transcutol 50.15
    n-heptanol 10.55
    ethylbenzene 4.3
    MIBK 9.7
    2-propoxyethanol 24.39
    tert-butanol 19.3
    MTBE 13.64
    2-butoxyethanol 14.84
    propionic acid 20.01
    o-xylene 4.72
    formic acid 9.73
    diethyl ether 18.14
    m-xylene 5.17
    p-xylene 5.15
    chlorobenzene 9.43
    dimethyl carbonate 7.19
    n-octane 1.57
    formamide 13.13
    cyclopentanone 34.11
    2-pentanone 17.39
    anisole 9.88
    cyclopentyl methyl ether 18.24
    gamma-butyrolactone 31.54
    1-methoxy-2-propanol 22.19
    pyridine 18.79
    3-pentanone 12.18
    furfural 23.51
    n-dodecane 1.37
    diethylene glycol 20.11
    diisopropyl ether 5.66
    tert-amyl alcohol 15.6
    acetylacetone 14.69
    n-hexadecane 1.48
    acetophenone 9.17
    methyl propionate 13.6
    isopentyl acetate 12.34
    trichloroethylene 23.22
    n-nonanol 9.06
    cyclohexanol 14.09
    benzyl alcohol 8.14
    2-ethylhexanol 11.41
    isooctanol 7.85
    dipropyl ether 12.71
    1,2-dichlorobenzene 8.66
    ethyl lactate 6.48
    propylene carbonate 16.68
    n-methylformamide 19.87
    2-pentanol 13.39
    n-pentane 3.86
    1-propoxy-2-propanol 18.6
    1-methoxy-2-propyl acetate 13.41
    2-(2-methoxypropoxy) propanol 12.57
    mesitylene 3.58
    ε-caprolactone 20.66
    p-cymene 4.03
    epichlorohydrin 23.77
    1,1,1-trichloroethane 12.85
    2-aminoethanol 17.24
    morpholine-4-carbaldehyde 29.55
    sulfolane 34.7
    2,2,4-trimethylpentane 1.79
    2-methyltetrahydrofuran 25.86
    n-hexyl acetate 14.31
    isooctane 1.56
    2-(2-butoxyethoxy)ethanol 18.62
    sec-butyl acetate 7.22
    tert-butyl acetate 10.34
    decalin 2.07
    glycerin 14.6
    diglyme 29.05
    acrylic acid 18.54
    isopropyl myristate 5.83
    n-butyric acid 19.69
    acetyl acetate 9.09
    di(2-ethylhexyl) phthalate 5.38
    ethyl propionate 9.14
    nitromethane 30.55
    1,2-diethoxyethane 16.49
    benzonitrile 10.74
    trioctyl phosphate 4.78
    1-bromopropane 10.87
    gamma-valerolactone 31.67
    n-decanol 6.89
    triethyl phosphate 4.88
    4-methyl-2-pentanol 7.58
    propionitrile 13.9
    vinylene carbonate 14.33
    1,1,2-trichlorotrifluoroethane 17.55
    DMS 9.53
    cumene 3.36
    2-octanol 7.54
    2-hexanone 13.48
    octyl acetate 7.61
    limonene 6.67
    1,2-dimethoxyethane 21.2
    ethyl orthosilicate 4.89
    tributyl phosphate 5.48
    diacetone alcohol 15.08
    N,N-dimethylaniline 6.85
    acrylonitrile 16.95
    aniline 10.06
    1,3-propanediol 19.52
    bromobenzene 8.82
    dibromomethane 14.08
    1,1,2,2-tetrachloroethane 18.06
    2-methyl-cyclohexyl acetate 7.86
    tetrabutyl urea 7.33
    diisobutyl methanol 6.41
    2-phenylethanol 10.81
    styrene 5.7
    dioctyl adipate 7.28
    dimethyl sulfate 10.23
    ethyl butyrate 9.86
    methyl lactate 9.24
    butyl lactate 8.23
    diethyl carbonate 6.24
    propanediol butyl ether 15.02
    triethyl orthoformate 6.89
    p-tert-butyltoluene 4.21
    methyl 4-tert-butylbenzoate 9.7
    morpholine 31.42
    tert-butylamine 13.39
    n-dodecanol 5.42
    dimethoxymethane 19.29
    ethylene carbonate 11.54
    cyrene 10.36
    2-ethoxyethyl acetate 12.05
    2-ethylhexyl acetate 10.16
    1,2,4-trichlorobenzene 9.87
    4-methylpyridine 16.77
    dibutyl ether 10.44
    2,6-dimethyl-4-heptanol 6.41
    DEF 18.82
    dimethyl isosorbide 17.15
    tetrachloroethylene 13.33
    eugenol 10.58
    triacetin 11.44
    span 80 12.4
    1,4-butanediol 8.94
    1,1-dichloroethane 13.86
    2-methyl-1-pentanol 11.42
    methyl formate 13.29
    2-methyl-1-butanol 13.21
    n-decane 2.13
    butyronitrile 13.81
    3,7-dimethyl-1-octanol 9.18
    1-chlorooctane 6.77
    1-chlorotetradecane 2.91
    n-nonane 2.26
    undecane 1.68
    tert-butylcyclohexane 2.26
    cyclooctane 1.56
    cyclopentanol 17.72
    tetrahydropyran 24.97
    tert-amyl methyl ether 11.13
    2,5,8-trioxanonane 20.52
    1-hexene 10.43
    2-isopropoxyethanol 12.31
    2,2,2-trifluoroethanol 8.78
    methyl butyrate 12.42

    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