Tricetyl Phosphate

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  • Identifiers

    CAS number
    68814-13-1

    Molecular formula
    C48H99O4P

    SMILES
    CCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 67.22%
    Fatty 49.12%
    Oily 45.57%
    Odorless 30.67%
    Sweet 22.65%
    Fresh 22.52%
    Balsamic 21.64%
    Fruity 21.42%
    Clean 20.7%
    Woody 18.27%

     

    Flavor
    Waxy 49.47%
    Mild 37.77%
    Fatty 36.91%
    Bland 36.45%
    Faint 30.1%
    Oily 27.41%
    Alkane 24.66%
    Slightly waxy 24.15%
    Fat 24.13%
    Odorless 22.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    22.8

    pKa est.
    9.88 (weak base)

    Molecular weight
    771.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    719°C

    Flash point

    • 319.72 ˚C est.

  • Synonyms

    • Tricetyl phosphate
    • Trihexadecyl phosphate
    • 1-Hexadecanol, phosphate (3:1)
    • tripalmityl phosphate
    • UNII-418WF120PG
    • 418WF120PG
    • DTXSID80273917
    • RefChem:190959
    • DTXCID50196407
    • TRICETYL PHOSPHATE [INCI]
    • 68814-13-1
    • EINECS 272-336-8
    • Hexadecyl alcohol, phosphate
    • 56827-95-3
    • SCHEMBL63747
    • KENFVQBKAYNBKN-UHFFFAOYSA-N
    • NS00122795
    • Q27258420
    • 56827-95-3

  • Applications

    Tricetyl Phosphate (CAS 68814-13-1) is typically used as a plasticizer for PVC and other polymers, imparting flexibility. It is employed as a flame-retardant additive in coatings, adhesives, and polymer formulations. It serves as a processing aid in polymer manufacture and as a rheology/film-forming modifier in coatings and inks. It can function as an intermediate in the synthesis of other organophosphate compounds. In some industrial formulations, it may act as a high-temperature lubricant additive or stabilizer, aiding processing stability. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 78.24
    methanol 92.11
    isopropanol 85.98
    water 5.5
    ethyl acetate 540.6
    n-propanol 131.99
    acetone 324.01
    n-butanol 129.07
    acetonitrile 147.21
    DMF 588.58
    toluene 268.1
    isobutanol 130.07
    1,4-dioxane 404.81
    methyl acetate 387.67
    THF 1096.98
    2-butanone 482.11
    n-pentanol 118.16
    sec-butanol 161.64
    n-hexane 74.03
    ethylene glycol 16.33
    NMP 1809.14
    cyclohexane 282.36
    DMSO 578.36
    n-butyl acetate 487.5
    n-octanol 183.0
    chloroform 1658.28
    n-propyl acetate 483.29
    acetic acid 272.17
    dichloromethane 1697.5
    cyclohexanone 1305.28
    propylene glycol 37.56
    isopropyl acetate 465.42
    DMAc 1213.81
    2-ethoxyethanol 202.51
    isopentanol 135.97
    n-heptane 83.14
    ethyl formate 270.07
    1,2-dichloroethane 996.68
    n-hexanol 109.26
    2-methoxyethanol 213.06
    isobutyl acetate 324.59
    tetrachloromethane 505.42
    n-pentyl acetate 946.52
    transcutol 679.74
    n-heptanol 188.72
    ethylbenzene 166.73
    MIBK 354.36
    2-propoxyethanol 216.88
    tert-butanol 126.5
    MTBE 283.06
    2-butoxyethanol 375.32
    propionic acid 298.21
    o-xylene 264.59
    formic acid 100.77
    diethyl ether 276.74
    m-xylene 197.7
    p-xylene 241.42
    chlorobenzene 489.01
    dimethyl carbonate 283.18
    n-octane 55.84
    formamide 196.13
    cyclopentanone 1343.17
    2-pentanone 468.11
    anisole 257.03
    cyclopentyl methyl ether 757.73
    gamma-butyrolactone 1501.75
    1-methoxy-2-propanol 233.16
    pyridine 629.85
    3-pentanone 522.26
    furfural 897.09
    n-dodecane 25.21
    diethylene glycol 89.24
    diisopropyl ether 156.11
    tert-amyl alcohol 213.57
    acetylacetone 617.89
    n-hexadecane 29.51
    acetophenone 425.27
    methyl propionate 488.12
    isopentyl acetate 464.61
    trichloroethylene 1774.19
    n-nonanol 179.81
    cyclohexanol 350.27
    benzyl alcohol 179.48
    2-ethylhexanol 134.11
    isooctanol 177.54
    dipropyl ether 282.36
    1,2-dichlorobenzene 603.41
    ethyl lactate 221.43
    propylene carbonate 913.34
    n-methylformamide 300.99
    2-pentanol 136.72
    n-pentane 68.76
    1-propoxy-2-propanol 257.79
    1-methoxy-2-propyl acetate 442.03
    2-(2-methoxypropoxy) propanol 245.95
    mesitylene 158.18
    ε-caprolactone 1297.96
    p-cymene 152.63
    epichlorohydrin 1210.9
    1,1,1-trichloroethane 1212.89
    2-aminoethanol 53.79
    morpholine-4-carbaldehyde 842.59
    sulfolane 2133.13
    2,2,4-trimethylpentane 70.26
    2-methyltetrahydrofuran 874.44
    n-hexyl acetate 710.17
    isooctane 30.03
    2-(2-butoxyethoxy)ethanol 321.89
    sec-butyl acetate 404.34
    tert-butyl acetate 526.51
    decalin 102.76
    glycerin 64.5
    diglyme 799.81
    acrylic acid 243.84
    isopropyl myristate 219.18
    n-butyric acid 483.65
    acetyl acetate 421.81
    di(2-ethylhexyl) phthalate 193.58
    ethyl propionate 472.25
    nitromethane 547.52
    1,2-diethoxyethane 428.34
    benzonitrile 276.0
    trioctyl phosphate 166.66
    1-bromopropane 574.62
    gamma-valerolactone 1453.6
    n-decanol 108.4
    triethyl phosphate 309.8
    4-methyl-2-pentanol 97.6
    propionitrile 197.68
    vinylene carbonate 778.95
    1,1,2-trichlorotrifluoroethane 852.2
    DMS 440.12
    cumene 125.36
    2-octanol 186.75
    2-hexanone 392.92
    octyl acetate 287.09
    limonene 274.61
    1,2-dimethoxyethane 396.78
    ethyl orthosilicate 301.44
    tributyl phosphate 211.01
    diacetone alcohol 365.9
    N,N-dimethylaniline 242.83
    acrylonitrile 211.6
    aniline 257.25
    1,3-propanediol 88.84
    bromobenzene 586.0
    dibromomethane 1112.82
    1,1,2,2-tetrachloroethane 1723.71
    2-methyl-cyclohexyl acetate 424.06
    tetrabutyl urea 315.1
    diisobutyl methanol 104.0
    2-phenylethanol 154.47
    styrene 195.91
    dioctyl adipate 343.04
    dimethyl sulfate 619.7
    ethyl butyrate 484.14
    methyl lactate 229.64
    butyl lactate 544.42
    diethyl carbonate 305.32
    propanediol butyl ether 253.75
    triethyl orthoformate 419.75
    p-tert-butyltoluene 144.65
    methyl 4-tert-butylbenzoate 550.44
    morpholine 534.55
    tert-butylamine 107.91
    n-dodecanol 73.95
    dimethoxymethane 374.57
    ethylene carbonate 729.59
    cyrene 345.29
    2-ethoxyethyl acetate 829.73
    2-ethylhexyl acetate 446.16
    1,2,4-trichlorobenzene 730.81
    4-methylpyridine 566.86
    dibutyl ether 323.82
    2,6-dimethyl-4-heptanol 104.0
    DEF 696.85
    dimethyl isosorbide 578.64
    tetrachloroethylene 1107.5
    eugenol 345.17
    triacetin 719.26
    span 80 290.25
    1,4-butanediol 53.04
    1,1-dichloroethane 817.94
    2-methyl-1-pentanol 141.96
    methyl formate 242.32
    2-methyl-1-butanol 163.63
    n-decane 59.57
    butyronitrile 202.69
    3,7-dimethyl-1-octanol 153.92
    1-chlorooctane 235.73
    1-chlorotetradecane 69.56
    n-nonane 60.04
    undecane 35.86
    tert-butylcyclohexane 72.01
    cyclooctane 110.91
    cyclopentanol 377.16
    tetrahydropyran 698.67
    tert-amyl methyl ether 341.92
    2,5,8-trioxanonane 404.94
    1-hexene 148.37
    2-isopropoxyethanol 175.53
    2,2,2-trifluoroethanol 233.34
    methyl butyrate 598.41

    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