Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, dioctadecyl ester

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  • Identifiers

    CAS number
    3135-18-0

    Molecular formula
    C51H97O4P

    SMILES
    CCCCCCCCCCCCCCCCCCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OCCCCCCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 67.05%
    Fatty 41.16%
    Oily 38.19%
    Floral 36.74%
    Balsamic 35.7%
    Woody 35.52%
    Odorless 28.18%
    Sweet 25.47%
    Amber 23.76%
    Fresh 23.53%

     

    Flavor
    Mild 38.36%
    Bland 38.13%
    Waxy 31.55%
    Faint 26.88%
    Oily 25.73%
    Fatty 23.95%
    Odorless 23.65%
    Slightly waxy 23.03%
    Delicate 21.87%
    Bay oil 21.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    21.6

    pKa est.
    -13.57 (strong acid)

    Molecular weight
    805.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1067°C

    Flash point

    • 141.26 ˚C est.

  • Synonyms

    • EINECS 221-532-1
    • Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, dioctadecyl ester
    • DTXSID4062858
    • Phosphonic acid, ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, dioctadecyl ester
    • Phosphonic acid, P-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, dioctadecyl ester
    • Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, dioctadecyl ester
    • RefChem:862197
    • DTXCID5038339
    • 3135-18-0
    • Dioctadecyl ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate
    • Dioctadecyl [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate
    • 2,6-ditert-butyl-4-(dioctadecoxyphosphorylmethyl)phenol
    • SCHEMBL39022
    • dioctadecyl [(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]phosphonate
    • DB-243441
    • NS00020793
    • 3,5-di-tert. butyl-4-hydroxybenzyl-phosphonic acid di-n-octadecyl ester
    • 3135-18-0

  • Applications

    Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, dioctadecyl ester (CAS 3135-18-0) is a lipophilic phosphonate ester bearing a hindered p-hydroxyphenyl moiety, typically used as a heat- and oxidative-stabilizer and antioxidant in polymer and resin systems, protecting during processing and in finished plastics. It often serves as a processing additive to improve stability of polyolefins and other resins. In coatings and inks, the compound provides light and thermal stabilization, reducing discoloration and degradation. It can function as an additive in adhesives and sealants to enhance durability and formulation compatibility. With its phosphonate group and long C18 chains, it can be incorporated as a lubricant additive to enhance oxidative stability, and may be considered for metal-surface protection as a corrosion-inhibiting or chelating component in cleaning and maintenance formulations, depending on regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 93.19
    methanol 58.58
    isopropanol 101.6
    water 0.92
    ethyl acetate 443.25
    n-propanol 170.73
    acetone 373.89
    n-butanol 159.23
    acetonitrile 119.59
    DMF 645.96
    toluene 323.6
    isobutanol 150.9
    1,4-dioxane 360.23
    methyl acetate 368.27
    THF 1031.95
    2-butanone 522.41
    n-pentanol 158.34
    sec-butanol 197.06
    n-hexane 74.97
    ethylene glycol 14.94
    NMP 1398.32
    cyclohexane 143.33
    DMSO 512.7
    n-butyl acetate 439.94
    n-octanol 149.05
    chloroform 1490.79
    n-propyl acetate 403.2
    acetic acid 269.66
    dichloromethane 1274.9
    cyclohexanone 980.33
    propylene glycol 50.33
    isopropyl acetate 359.53
    DMAc 967.12
    2-ethoxyethanol 204.89
    isopentanol 138.69
    n-heptane 69.43
    ethyl formate 249.63
    1,2-dichloroethane 753.56
    n-hexanol 147.55
    2-methoxyethanol 196.47
    isobutyl acetate 293.51
    tetrachloromethane 333.44
    n-pentyl acetate 604.6
    transcutol 509.7
    n-heptanol 168.31
    ethylbenzene 184.55
    MIBK 300.45
    2-propoxyethanol 250.73
    tert-butanol 119.28
    MTBE 259.73
    2-butoxyethanol 304.96
    propionic acid 283.89
    o-xylene 226.69
    formic acid 72.45
    diethyl ether 264.52
    m-xylene 217.09
    p-xylene 220.55
    chlorobenzene 511.22
    dimethyl carbonate 268.84
    n-octane 38.87
    formamide 123.31
    cyclopentanone 1158.04
    2-pentanone 465.08
    anisole 269.91
    cyclopentyl methyl ether 658.87
    gamma-butyrolactone 1187.15
    1-methoxy-2-propanol 241.48
    pyridine 576.35
    3-pentanone 476.2
    furfural 721.41
    n-dodecane 17.14
    diethylene glycol 90.6
    diisopropyl ether 130.81
    tert-amyl alcohol 205.63
    acetylacetone 534.6
    n-hexadecane 20.09
    acetophenone 378.38
    methyl propionate 445.31
    isopentyl acetate 383.3
    trichloroethylene 1595.14
    n-nonanol 154.56
    cyclohexanol 307.59
    benzyl alcohol 201.77
    2-ethylhexanol 144.18
    isooctanol 158.2
    dipropyl ether 254.18
    1,2-dichlorobenzene 535.53
    ethyl lactate 213.31
    propylene carbonate 728.58
    n-methylformamide 270.07
    2-pentanol 158.2
    n-pentane 68.34
    1-propoxy-2-propanol 280.25
    1-methoxy-2-propyl acetate 433.85
    2-(2-methoxypropoxy) propanol 246.66
    mesitylene 134.29
    ε-caprolactone 982.94
    p-cymene 135.36
    epichlorohydrin 1090.98
    1,1,1-trichloroethane 960.8
    2-aminoethanol 55.51
    morpholine-4-carbaldehyde 752.64
    sulfolane 1552.62
    2,2,4-trimethylpentane 55.15
    2-methyltetrahydrofuran 815.95
    n-hexyl acetate 521.03
    isooctane 25.43
    2-(2-butoxyethoxy)ethanol 276.96
    sec-butyl acetate 333.4
    tert-butyl acetate 385.07
    decalin 72.91
    glycerin 64.64
    diglyme 548.74
    acrylic acid 230.81
    isopropyl myristate 175.69
    n-butyric acid 424.23
    acetyl acetate 322.09
    di(2-ethylhexyl) phthalate 176.87
    ethyl propionate 374.27
    nitromethane 481.15
    1,2-diethoxyethane 320.91
    benzonitrile 249.26
    trioctyl phosphate 147.69
    1-bromopropane 532.03
    gamma-valerolactone 1187.55
    n-decanol 98.89
    triethyl phosphate 246.7
    4-methyl-2-pentanol 96.99
    propionitrile 170.47
    vinylene carbonate 638.63
    1,1,2-trichlorotrifluoroethane 781.11
    DMS 373.34
    cumene 125.73
    2-octanol 154.94
    2-hexanone 386.71
    octyl acetate 242.67
    limonene 223.54
    1,2-dimethoxyethane 333.76
    ethyl orthosilicate 240.25
    tributyl phosphate 173.04
    diacetone alcohol 313.03
    N,N-dimethylaniline 235.6
    acrylonitrile 186.9
    aniline 278.46
    1,3-propanediol 89.28
    bromobenzene 617.01
    dibromomethane 896.47
    1,1,2,2-tetrachloroethane 1435.56
    2-methyl-cyclohexyl acetate 358.63
    tetrabutyl urea 244.64
    diisobutyl methanol 91.65
    2-phenylethanol 200.37
    styrene 212.27
    dioctyl adipate 280.98
    dimethyl sulfate 561.81
    ethyl butyrate 390.27
    methyl lactate 221.46
    butyl lactate 396.9
    diethyl carbonate 245.52
    propanediol butyl ether 228.08
    triethyl orthoformate 342.27
    p-tert-butyltoluene 131.84
    methyl 4-tert-butylbenzoate 416.64
    morpholine 516.24
    tert-butylamine 92.79
    n-dodecanol 67.86
    dimethoxymethane 380.92
    ethylene carbonate 552.25
    cyrene 339.86
    2-ethoxyethyl acetate 599.19
    2-ethylhexyl acetate 373.28
    1,2,4-trichlorobenzene 672.06
    4-methylpyridine 577.49
    dibutyl ether 223.11
    2,6-dimethyl-4-heptanol 91.65
    DEF 574.67
    dimethyl isosorbide 519.06
    tetrachloroethylene 788.56
    eugenol 288.06
    triacetin 550.53
    span 80 288.22
    1,4-butanediol 57.19
    1,1-dichloroethane 728.86
    2-methyl-1-pentanol 164.31
    methyl formate 240.56
    2-methyl-1-butanol 191.46
    n-decane 40.41
    butyronitrile 176.89
    3,7-dimethyl-1-octanol 133.45
    1-chlorooctane 180.26
    1-chlorotetradecane 54.48
    n-nonane 40.09
    undecane 24.65
    tert-butylcyclohexane 55.5
    cyclooctane 64.08
    cyclopentanol 340.19
    tetrahydropyran 629.79
    tert-amyl methyl ether 306.29
    2,5,8-trioxanonane 320.05
    1-hexene 172.84
    2-isopropoxyethanol 185.21
    2,2,2-trifluoroethanol 181.39
    methyl butyrate 468.45

    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