Hexaethyltetraphosphate

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  • Identifiers

    CAS number
    757-58-4

    Molecular formula
    C12H30O13P4

    SMILES
    CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC

  • Odor profile

    Fragrance
    Odorless 55.06%
    Fresh 29.56%
    Herbal 20.88%
    Ethereal 20.46%
    Green 20.34%
    Clean 18.72%
    Winey 18.52%
    Alcoholic 18.07%
    Sweet 16.19%
    Balsamic 14.53%

     

    Flavor
    Fruity 40.6%
    Bitter 35.91%
    Odorless 30.09%
    Mild 27.77%
    Green 25.3%
    Fatty 22.04%
    Marshmallow 21.65%
    Yeast 21.1%
    Pulpy 20.19%
    Dried berry 19.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.0

    pKa est.
    4.91 (weak acid)

    Molecular weight
    506.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -40 °C

    Boiling point

    • 150 °C (decomposes)

    Flash point

    • 274.9 ˚C est.

    Solubility expt.

    • Miscible with water and many organic solvents except kerosene
    • Very soluble in ethanol, acetone and benzene

  • Synonyms

    • Hexaethyl tetraphosphate
    • Ethyl tetraphosphate
    • Bladan base
    • HEXAETHYLTETRAPHOSPHATE
    • 757-58-4
    • Hexaethyltetrafosfat
    • RCRA waste number P062
    • Ethyl tetraphosphate, hexa-
    • Hexaethyltetrafosfat [Czech]
    • Tetraphosphoric acid, hexaethyl ester
    • HSDB 558
    • YL9WI50HOG
    • Tetraphosphate hexaethylique
    • EINECS 212-057-0
    • Tetraphosphate hexaethylique [French]
    • UN1611
    • UN1612
    • BRN 1718039
    • AI3-14079
    • HEXAETHYLTETRAPHOSPHATE [HSDB]
    • HETP
    • UNII-YL9WI50HOG
    • RCRA waste no. P062
    • Hexaethyl tetraphosphate, solid
    • Hexaethyl tetraphosphate, liquid
    • Ethyl tetraphosphate, hexa
    • pentaethyl ethyltetraphosphate
    • Hexaethyl tetraphosphate, solid [UN1611] [Poison]
    • SCHEMBL5097811
    • DTXSID80862401
    • DAJYZXUXDOSMCG-UHFFFAOYSA-N
    • diethoxyphosphoryl [diethoxyphosphoryloxy(ethoxy)phosphoryl] ethyl phosphate
    • Hexaethyl tetraphosphate, liquid [UN1611] [Poison]
    • Q15410997
    • 212-057-0

  • Applications

    Hexaethyltetraphosphate (CAS 757-58-4) is used as an important intermediate in the synthesis of complex phosphate esters and other phosphorus-containing compounds, and is commonly evaluated as a precursor for a range of phosphorus-based additives. In industrial practice, it may be used as a plasticizer for polymers such as PVC and other plastics to impart flexibility. It can serve as a solvent or processing aid in chemical manufacturing and processing. As a phosphate ester, it may function as a stabilizer or additive in coatings and inks, supporting flame retardancy and thermal stability of formulations. It is also regarded as a precursor for other phosphorus-containing additives and phosphate esters. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 82.13
    methanol 121.44
    isopropanol 56.58
    water 28.25
    ethyl acetate 186.31
    n-propanol 68.84
    acetone 321.06
    n-butanol 52.7
    acetonitrile 166.28
    DMF 1360.89
    toluene 66.58
    isobutanol 48.74
    1,4-dioxane 144.54
    methyl acetate 245.66
    THF 409.35
    2-butanone 213.18
    n-pentanol 33.53
    sec-butanol 52.71
    n-hexane 2.34
    ethylene glycol 81.27
    NMP 2924.09
    cyclohexane 4.25
    DMSO 1051.71
    n-butyl acetate 86.46
    n-octanol 16.23
    chloroform 525.62
    n-propyl acetate 103.08
    acetic acid 428.6
    dichloromethane 516.99
    cyclohexanone 328.78
    propylene glycol 116.69
    isopropyl acetate 112.73
    DMAc 1470.18
    2-ethoxyethanol 126.07
    isopentanol 38.49
    n-heptane 2.6
    ethyl formate 191.88
    1,2-dichloroethane 271.4
    n-hexanol 25.79
    2-methoxyethanol 286.07
    isobutyl acetate 59.25
    tetrachloromethane 46.97
    n-pentyl acetate 68.92
    transcutol 142.93
    n-heptanol 18.48
    ethylbenzene 22.81
    MIBK 87.7
    2-propoxyethanol 143.02
    tert-butanol 60.01
    MTBE 42.54
    2-butoxyethanol 73.9
    propionic acid 257.61
    o-xylene 49.77
    formic acid 356.18
    diethyl ether 43.29
    m-xylene 46.4
    p-xylene 35.73
    chlorobenzene 145.94
    dimethyl carbonate 358.16
    n-octane 1.24
    formamide 542.27
    cyclopentanone 731.78
    2-pentanone 166.86
    anisole 77.51
    cyclopentyl methyl ether 145.76
    gamma-butyrolactone 1288.57
    1-methoxy-2-propanol 233.24
    pyridine 316.19
    3-pentanone 154.03
    furfural 1233.9
    n-dodecane 1.18
    diethylene glycol 144.38
    diisopropyl ether 13.75
    tert-amyl alcohol 57.04
    acetylacetone 354.21
    n-hexadecane 1.38
    acetophenone 179.08
    methyl propionate 289.15
    isopentyl acetate 70.8
    trichloroethylene 838.03
    n-nonanol 16.48
    cyclohexanol 62.03
    benzyl alcohol 107.14
    2-ethylhexanol 18.3
    isooctanol 15.09
    dipropyl ether 28.39
    1,2-dichlorobenzene 176.47
    ethyl lactate 126.9
    propylene carbonate 658.58
    n-methylformamide 577.11
    2-pentanol 34.15
    n-pentane 3.37
    1-propoxy-2-propanol 106.25
    1-methoxy-2-propyl acetate 186.32
    2-(2-methoxypropoxy) propanol 104.84
    mesitylene 26.06
    ε-caprolactone 387.62
    p-cymene 19.67
    epichlorohydrin 721.19
    1,1,1-trichloroethane 238.67
    2-aminoethanol 113.82
    morpholine-4-carbaldehyde 1003.65
    sulfolane 1921.16
    2,2,4-trimethylpentane 2.77
    2-methyltetrahydrofuran 191.91
    n-hexyl acetate 67.71
    isooctane 1.49
    2-(2-butoxyethoxy)ethanol 91.68
    sec-butyl acetate 61.26
    tert-butyl acetate 113.44
    decalin 3.35
    glycerin 235.82
    diglyme 170.19
    acrylic acid 407.08
    isopropyl myristate 25.37
    n-butyric acid 220.15
    acetyl acetate 221.49
    di(2-ethylhexyl) phthalate 59.11
    ethyl propionate 116.33
    nitromethane 1101.35
    1,2-diethoxyethane 43.64
    benzonitrile 148.43
    trioctyl phosphate 33.64
    1-bromopropane 74.6
    gamma-valerolactone 1068.01
    n-decanol 12.31
    triethyl phosphate 72.04
    4-methyl-2-pentanol 19.99
    propionitrile 102.7
    vinylene carbonate 682.44
    1,1,2-trichlorotrifluoroethane 910.43
    DMS 185.07
    cumene 17.02
    2-octanol 12.7
    2-hexanone 82.32
    octyl acetate 39.48
    limonene 24.75
    1,2-dimethoxyethane 169.22
    ethyl orthosilicate 52.2
    tributyl phosphate 43.98
    diacetone alcohol 171.06
    N,N-dimethylaniline 73.52
    acrylonitrile 225.43
    aniline 132.72
    1,3-propanediol 113.19
    bromobenzene 136.92
    dibromomethane 244.82
    1,1,2,2-tetrachloroethane 566.58
    2-methyl-cyclohexyl acetate 75.12
    tetrabutyl urea 80.0
    diisobutyl methanol 13.17
    2-phenylethanol 78.02
    styrene 31.4
    dioctyl adipate 61.12
    dimethyl sulfate 1070.22
    ethyl butyrate 84.23
    methyl lactate 338.07
    butyl lactate 92.12
    diethyl carbonate 70.63
    propanediol butyl ether 83.52
    triethyl orthoformate 65.47
    p-tert-butyltoluene 20.71
    methyl 4-tert-butylbenzoate 154.6
    morpholine 216.58
    tert-butylamine 27.72
    n-dodecanol 9.21
    dimethoxymethane 357.91
    ethylene carbonate 405.52
    cyrene 308.79
    2-ethoxyethyl acetate 124.21
    2-ethylhexyl acetate 57.89
    1,2,4-trichlorobenzene 277.62
    4-methylpyridine 294.89
    dibutyl ether 14.23
    2,6-dimethyl-4-heptanol 13.17
    DEF 337.86
    dimethyl isosorbide 252.99
    tetrachloroethylene 276.64
    eugenol 129.28
    triacetin 192.45
    span 80 98.63
    1,4-butanediol 50.04
    1,1-dichloroethane 203.88
    2-methyl-1-pentanol 28.66
    methyl formate 507.22
    2-methyl-1-butanol 47.25
    n-decane 1.76
    butyronitrile 76.82
    3,7-dimethyl-1-octanol 15.58
    1-chlorooctane 9.73
    1-chlorotetradecane 4.63
    n-nonane 1.55
    undecane 1.41
    tert-butylcyclohexane 2.67
    cyclooctane 2.08
    cyclopentanol 119.71
    tetrahydropyran 84.22
    tert-amyl methyl ether 49.27
    2,5,8-trioxanonane 129.56
    1-hexene 9.7
    2-isopropoxyethanol 77.78
    2,2,2-trifluoroethanol 363.34
    methyl butyrate 151.86

    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