2,4-Bis(1,1-dimethylpropyl)phenyl bis(4-(1,1-dimethylpropyl)phenyl) ester phosphorous acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1000027-04-2

    Molecular formula
    C38H55O3P

    SMILES
    CCC(C)(C)C1=CC=C(C=C1)OP(OC2=CC=C(C=C2)C(C)(C)CC)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Woody 42.11%
    Floral 39.51%
    Fruity 32.77%
    Balsamic 32.45%
    Green 31.72%
    Dry 30.38%
    Vetiver 29.66%
    Spicy 29.01%
    Rose 28.88%
    Amber 28.31%

     

    Flavor
    Woody 30.39%
    Camphor 29.9%
    Musty 23.49%
    Mild 23.46%
    Phenolic 22.85%
    Spice 21.54%
    Bitter 21.1%
    Herbal 20.53%
    Creosote 20.53%
    Carrot 20.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.4

    pKa est.
    7.0 (neutral)

    Molecular weight
    590.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    626°C

    Flash point

    • 251.23 ˚C est.

  • Synonyms

    • UNII-KFJ58CO02X
    • KFJ58CO02X
    • 2,4-Bis(1,1-dimethylpropyl)phenyl bis(4-(1,1-dimethylpropyl)phenyl) ester phosphorous acid
    • 1000027-04-2
    • Phosphorous acid, 2,4-bis(1,1-dimethylpropyl)phenyl bis(4-(1,1-dimethylpropyl)phenyl) ester
    • SCHEMBL798108
    • SCHEMBL29760889
    • DTXSID601022089
    • Q27282231
    • 2,4-DI-TERT-PENTYLPHENYL BIS(4-TERT-PENTYLPHENYL) PHOSPHITE
    • 2,4abis(2aMethylbutana2ayl)phenyl bis[4a(2a methylbutana2ayl)phenyl] phosphite
    • 1000027-04-2

  • Applications

    2,4-Bis(1,1-dimethylpropyl)phenyl bis(4-(1,1-dimethylpropyl)phenyl) ester phosphorous acid (CAS 1000027-04-2) is typically used as a thermal stabilizer and antioxidant in polymer formulations to prevent oxidative and thermal degradation during processing and service, with particular relevance for polyolefins and vinyl plastics. It also functions as a processing stabilizer during melt handling (e.g., extrusion and molding) by scavenging hydroperoxides. In coatings and inks, it acts as a stabilizer to extend aging resistance and color stability. In adhesives and sealants formulations, it contributes to long-term performance by reducing oxidative aging. Additionally, it can serve as a chemical intermediate for the synthesis of phosphorus-containing flame retardants and related esters used in specialty plastics, electronics, and related applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.39
    methanol 4.72
    isopropanol 10.33
    water 0.04
    ethyl acetate 134.15
    n-propanol 16.03
    acetone 83.93
    n-butanol 15.93
    acetonitrile 15.92
    DMF 248.72
    toluene 115.0
    isobutanol 15.56
    1,4-dioxane 115.21
    methyl acetate 108.47
    THF 509.09
    2-butanone 127.09
    n-pentanol 18.47
    sec-butanol 19.36
    n-hexane 7.24
    ethylene glycol 1.09
    NMP 647.96
    cyclohexane 8.97
    DMSO 89.17
    n-butyl acetate 108.19
    n-octanol 13.09
    chloroform 968.14
    n-propyl acetate 95.99
    acetic acid 42.58
    dichloromethane 677.82
    cyclohexanone 225.75
    propylene glycol 4.45
    isopropyl acetate 112.24
    DMAc 512.74
    2-ethoxyethanol 34.26
    isopentanol 17.33
    n-heptane 6.7
    ethyl formate 45.0
    1,2-dichloroethane 259.17
    n-hexanol 19.56
    2-methoxyethanol 36.84
    isobutyl acetate 72.78
    tetrachloromethane 95.47
    n-pentyl acetate 101.35
    transcutol 111.2
    n-heptanol 17.48
    ethylbenzene 48.59
    MIBK 77.63
    2-propoxyethanol 64.33
    tert-butanol 21.12
    MTBE 74.39
    2-butoxyethanol 50.9
    propionic acid 45.66
    o-xylene 65.14
    formic acid 7.76
    diethyl ether 53.27
    m-xylene 76.17
    p-xylene 69.35
    chlorobenzene 248.12
    dimethyl carbonate 121.85
    n-octane 2.8
    formamide 18.76
    cyclopentanone 406.91
    2-pentanone 117.09
    anisole 117.64
    cyclopentyl methyl ether 221.33
    gamma-butyrolactone 515.79
    1-methoxy-2-propanol 58.15
    pyridine 200.43
    3-pentanone 123.59
    furfural 273.26
    n-dodecane 1.68
    diethylene glycol 15.88
    diisopropyl ether 27.69
    tert-amyl alcohol 33.13
    acetylacetone 195.18
    n-hexadecane 2.06
    acetophenone 131.07
    methyl propionate 157.21
    isopentyl acetate 98.71
    trichloroethylene 1021.9
    n-nonanol 16.1
    cyclohexanol 31.69
    benzyl alcohol 48.3
    2-ethylhexanol 22.08
    isooctanol 18.09
    dipropyl ether 62.96
    1,2-dichlorobenzene 262.56
    ethyl lactate 42.06
    propylene carbonate 272.46
    n-methylformamide 56.07
    2-pentanol 17.63
    n-pentane 5.06
    1-propoxy-2-propanol 68.43
    1-methoxy-2-propyl acetate 177.73
    2-(2-methoxypropoxy) propanol 61.85
    mesitylene 41.31
    ε-caprolactone 265.75
    p-cymene 30.13
    epichlorohydrin 523.62
    1,1,1-trichloroethane 455.79
    2-aminoethanol 4.78
    morpholine-4-carbaldehyde 322.74
    sulfolane 587.81
    2,2,4-trimethylpentane 6.52
    2-methyltetrahydrofuran 245.82
    n-hexyl acetate 88.11
    isooctane 3.68
    2-(2-butoxyethoxy)ethanol 58.33
    sec-butyl acetate 85.98
    tert-butyl acetate 139.74
    decalin 8.55
    glycerin 8.28
    diglyme 147.87
    acrylic acid 44.43
    isopropyl myristate 34.54
    n-butyric acid 73.24
    acetyl acetate 126.91
    di(2-ethylhexyl) phthalate 39.12
    ethyl propionate 105.15
    nitromethane 140.89
    1,2-diethoxyethane 80.28
    benzonitrile 58.25
    trioctyl phosphate 24.89
    1-bromopropane 131.96
    gamma-valerolactone 451.21
    n-decanol 10.98
    triethyl phosphate 61.05
    4-methyl-2-pentanol 15.39
    propionitrile 27.13
    vinylene carbonate 235.23
    1,1,2-trichlorotrifluoroethane 294.72
    DMS 147.18
    cumene 31.81
    2-octanol 14.91
    2-hexanone 88.84
    octyl acetate 43.02
    limonene 42.2
    1,2-dimethoxyethane 104.25
    ethyl orthosilicate 60.09
    tributyl phosphate 34.76
    diacetone alcohol 89.49
    N,N-dimethylaniline 92.66
    acrylonitrile 37.96
    aniline 84.44
    1,3-propanediol 8.87
    bromobenzene 338.79
    dibromomethane 341.55
    1,1,2,2-tetrachloroethane 752.21
    2-methyl-cyclohexyl acetate 86.83
    tetrabutyl urea 53.01
    diisobutyl methanol 17.29
    2-phenylethanol 50.57
    styrene 65.55
    dioctyl adipate 59.54
    dimethyl sulfate 301.16
    ethyl butyrate 94.73
    methyl lactate 59.27
    butyl lactate 62.52
    diethyl carbonate 64.05
    propanediol butyl ether 28.72
    triethyl orthoformate 84.63
    p-tert-butyltoluene 33.18
    methyl 4-tert-butylbenzoate 125.83
    morpholine 144.78
    tert-butylamine 14.31
    n-dodecanol 7.73
    dimethoxymethane 162.04
    ethylene carbonate 165.32
    cyrene 99.75
    2-ethoxyethyl acetate 143.73
    2-ethylhexyl acetate 91.57
    1,2,4-trichlorobenzene 357.29
    4-methylpyridine 226.38
    dibutyl ether 34.38
    2,6-dimethyl-4-heptanol 17.29
    DEF 180.86
    dimethyl isosorbide 217.46
    tetrachloroethylene 349.51
    eugenol 82.21
    triacetin 132.76
    span 80 58.51
    1,4-butanediol 4.29
    1,1-dichloroethane 303.1
    2-methyl-1-pentanol 22.41
    methyl formate 51.35
    2-methyl-1-butanol 21.1
    n-decane 3.6
    butyronitrile 27.97
    3,7-dimethyl-1-octanol 16.87
    1-chlorooctane 21.0
    1-chlorotetradecane 7.16
    n-nonane 3.14
    undecane 2.32
    tert-butylcyclohexane 8.6
    cyclooctane 4.8
    cyclopentanol 51.19
    tetrahydropyran 138.0
    tert-amyl methyl ether 81.57
    2,5,8-trioxanonane 91.49
    1-hexene 26.47
    2-isopropoxyethanol 36.29
    2,2,2-trifluoroethanol 35.17
    methyl butyrate 126.99

    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