Tristearyl Phosphate

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  • Identifiers

    CAS number
    4889-45-6

    Molecular formula
    C54H111O4P

    SMILES
    CCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 70.04%
    Fatty 49.5%
    Oily 44.14%
    Odorless 31.07%
    Sweet 20.75%
    Balsamic 20.19%
    Fresh 19.27%
    Clean 19.09%
    Fishy 17.58%
    Fruity 16.98%

     

    Flavor
    Waxy 49.48%
    Mild 36.83%
    Bland 36.43%
    Fatty 34.16%
    Faint 29.49%
    Alkane 27.19%
    Oily 25.17%
    Slightly waxy 23.81%
    Fat 22.67%
    Odorless 22.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    26.0

    pKa est.
    10.78 (weak base)

    Molecular weight
    855.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    738°C

    Flash point

    • 342.77 ˚C est.

  • Synonyms

    • Trioctadecyl phosphate
    • Tristearyl phosphate
    • 4889-45-6
    • Phosphoric acid, tristearyl ester
    • Phosphoric acid, trioctadecyl ester
    • 4KU600FQTM
    • EINECS 225-509-7
    • DTXSID7063637
    • RefChem:900580
    • DTXCID2040652
    • TRISTEARYL PHOSPHATE [INCI]
    • 225-509-7
    • UNII-4KU600FQTM
    • SCHEMBL258340
    • FDGZUBKNYGBWHI-UHFFFAOYSA-N
    • NS00014189
    • Q27259909
    • 4889-45-6

  • Applications

    Tristearyl phosphate (CAS 4889-45-6) is a triester phosphate used mainly as a plasticizer and processing aid for polymers, notably PVC, improving flexibility and processability and acting as a heat stabilizer in some formulations. It is also utilized as an additive in coatings, inks, and adhesive systems to enhance handling and flexibility. In polymer and composite formulations, it can serve as a stabilizer and compatibilizer, helping to reduce processing friction during compounding and extrusion. Additionally, tristearyl phosphate is employed as an intermediate in the synthesis of other organophosphorus esters and related additives, with use governed by formulation requirements and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 69.76
    methanol 80.9
    isopropanol 76.75
    water 4.71
    ethyl acetate 500.65
    n-propanol 119.42
    acetone 293.15
    n-butanol 116.81
    acetonitrile 131.01
    DMF 539.16
    toluene 251.65
    isobutanol 116.9
    1,4-dioxane 375.27
    methyl acetate 358.25
    THF 1033.35
    2-butanone 447.31
    n-pentanol 107.99
    sec-butanol 146.66
    n-hexane 68.49
    ethylene glycol 14.41
    NMP 1709.74
    cyclohexane 254.15
    DMSO 530.03
    n-butyl acetate 455.75
    n-octanol 169.8
    chloroform 1549.25
    n-propyl acetate 451.73
    acetic acid 249.12
    dichloromethane 1569.33
    cyclohexanone 1220.73
    propylene glycol 33.82
    isopropyl acetate 436.46
    DMAc 1133.57
    2-ethoxyethanol 188.36
    isopentanol 123.33
    n-heptane 78.01
    ethyl formate 251.03
    1,2-dichloroethane 914.72
    n-hexanol 101.01
    2-methoxyethanol 192.89
    isobutyl acetate 301.99
    tetrachloromethane 469.73
    n-pentyl acetate 882.52
    transcutol 641.82
    n-heptanol 175.59
    ethylbenzene 156.32
    MIBK 329.97
    2-propoxyethanol 203.91
    tert-butanol 113.99
    MTBE 260.95
    2-butoxyethanol 350.84
    propionic acid 272.72
    o-xylene 250.12
    formic acid 91.67
    diethyl ether 252.11
    m-xylene 186.42
    p-xylene 226.26
    chlorobenzene 456.97
    dimethyl carbonate 270.07
    n-octane 52.3
    formamide 177.0
    cyclopentanone 1274.41
    2-pentanone 434.59
    anisole 241.9
    cyclopentyl methyl ether 715.65
    gamma-butyrolactone 1422.02
    1-methoxy-2-propanol 218.39
    pyridine 588.51
    3-pentanone 488.79
    furfural 843.65
    n-dodecane 23.56
    diethylene glycol 83.3
    diisopropyl ether 143.9
    tert-amyl alcohol 196.72
    acetylacetone 582.1
    n-hexadecane 27.69
    acetophenone 400.92
    methyl propionate 457.62
    isopentyl acetate 435.09
    trichloroethylene 1648.02
    n-nonanol 168.59
    cyclohexanol 321.76
    benzyl alcohol 167.11
    2-ethylhexanol 126.38
    isooctanol 166.87
    dipropyl ether 265.49
    1,2-dichlorobenzene 564.64
    ethyl lactate 211.2
    propylene carbonate 860.2
    n-methylformamide 276.71
    2-pentanol 125.06
    n-pentane 62.56
    1-propoxy-2-propanol 245.77
    1-methoxy-2-propyl acetate 421.29
    2-(2-methoxypropoxy) propanol 236.08
    mesitylene 149.65
    ε-caprolactone 1224.78
    p-cymene 146.2
    epichlorohydrin 1142.73
    1,1,1-trichloroethane 1127.54
    2-aminoethanol 48.14
    morpholine-4-carbaldehyde 786.02
    sulfolane 2022.06
    2,2,4-trimethylpentane 65.98
    2-methyltetrahydrofuran 827.33
    n-hexyl acetate 665.5
    isooctane 28.19
    2-(2-butoxyethoxy)ethanol 306.15
    sec-butyl acetate 380.01
    tert-butyl acetate 496.74
    decalin 95.47
    glycerin 59.09
    diglyme 755.87
    acrylic acid 224.35
    isopropyl myristate 206.45
    n-butyric acid 444.32
    acetyl acetate 394.35
    di(2-ethylhexyl) phthalate 183.79
    ethyl propionate 444.87
    nitromethane 509.29
    1,2-diethoxyethane 403.08
    benzonitrile 253.61
    trioctyl phosphate 156.88
    1-bromopropane 529.43
    gamma-valerolactone 1373.77
    n-decanol 101.07
    triethyl phosphate 298.12
    4-methyl-2-pentanol 90.11
    propionitrile 179.19
    vinylene carbonate 737.05
    1,1,2-trichlorotrifluoroethane 808.84
    DMS 419.77
    cumene 118.48
    2-octanol 173.85
    2-hexanone 369.79
    octyl acetate 272.24
    limonene 261.48
    1,2-dimethoxyethane 365.73
    ethyl orthosilicate 290.73
    tributyl phosphate 200.92
    diacetone alcohol 345.72
    N,N-dimethylaniline 228.13
    acrylonitrile 192.0
    aniline 238.13
    1,3-propanediol 80.56
    bromobenzene 548.68
    dibromomethane 1020.65
    1,1,2,2-tetrachloroethane 1605.28
    2-methyl-cyclohexyl acetate 405.8
    tetrabutyl urea 297.48
    diisobutyl methanol 98.45
    2-phenylethanol 146.52
    styrene 182.98
    dioctyl adipate 325.67
    dimethyl sulfate 589.18
    ethyl butyrate 460.27
    methyl lactate 219.99
    butyl lactate 516.3
    diethyl carbonate 288.64
    propanediol butyl ether 238.03
    triethyl orthoformate 405.34
    p-tert-butyltoluene 139.61
    methyl 4-tert-butylbenzoate 529.11
    morpholine 494.65
    tert-butylamine 97.02
    n-dodecanol 68.87
    dimethoxymethane 353.47
    ethylene carbonate 688.52
    cyrene 335.85
    2-ethoxyethyl acetate 789.74
    2-ethylhexyl acetate 420.19
    1,2,4-trichlorobenzene 688.86
    4-methylpyridine 530.75
    dibutyl ether 304.77
    2,6-dimethyl-4-heptanol 98.45
    DEF 647.45
    dimethyl isosorbide 564.56
    tetrachloroethylene 1029.17
    eugenol 329.31
    triacetin 691.87
    span 80 276.55
    1,4-butanediol 47.7
    1,1-dichloroethane 751.84
    2-methyl-1-pentanol 131.97
    methyl formate 226.07
    2-methyl-1-butanol 149.11
    n-decane 56.57
    butyronitrile 182.75
    3,7-dimethyl-1-octanol 145.28
    1-chlorooctane 221.89
    1-chlorotetradecane 65.68
    n-nonane 56.57
    undecane 33.73
    tert-butylcyclohexane 67.76
    cyclooctane 101.91
    cyclopentanol 345.8
    tetrahydropyran 647.05
    tert-amyl methyl ether 320.13
    2,5,8-trioxanonane 384.75
    1-hexene 136.8
    2-isopropoxyethanol 164.53
    2,2,2-trifluoroethanol 216.23
    methyl butyrate 562.15

    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