Diethyl ethylphosphonate

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  • Identifiers

    CAS number
    78-38-6

    Molecular formula
    C6H15O3P

    SMILES
    CCOP(=O)(CC)OCC

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 76.5%
    Ethereal 48.96%
    Fresh 43.16%
    Sweet 37.32%
    Apple 33.85%
    Winey 31.38%
    Green 29.54%
    Tropical 27.2%
    Grape 25.41%
    Rummy 24.99%

     

    Flavor
    Fruity 71.3%
    Sweet 48.67%
    Green 46.04%
    Pineapple 39.82%
    Fruit 37.3%
    Fatty 31.99%
    Tropical 31.92%
    Bitter 31.54%
    Ether 30.08%
    Sharp 29.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    5.5 (weak acid)

    Molecular weight
    166.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 388 °F (NTP, 1992)

    Boiling point

    • 180 to 181 °F at 11 mmHg (NTP, 1992)
    • 198 °C @ 760 MM HG

    Flash point

    • 79.11 ˚C est.
    • 220 °F (NTP, 1992)
    • 221 °F OC

    Solubility expt.

    • Slightly soluble (NTP, 1992)
    • SLIGHTLY SOL IN WATER; SOL IN ALC, ETHER
    • MISCIBLE WITH MOST COMMON ORG SOLVENTS

  • Synonyms

    • DIETHYL ETHYLPHOSPHONATE
    • 78-38-6
    • Diethyl ethanephosphonate
    • 1-[ethoxy(ethyl)phosphoryl]oxyethane
    • Phosphonic acid, ethyl-, diethyl ester
    • Diethylethylphosphonate
    • Ethanephosphonic acid, diethyl ester
    • CCRIS 6230
    • HSDB 2560
    • Diethoxyethylphosphine oxide
    • NSC 2671
    • EINECS 201-111-9
    • UNII-Y52Q01P44T
    • DTXSID7025051
    • Amgard v 490
    • AI3-18558
    • Y52Q01P44T
    • NSC-2671
    • DTXCID405051
    • Diethylethanephosphonate
    • SCHEMBL26483
    • MLS001050132
    • CHEMBL1299387
    • NSC2671
    • ethanephosphonic acid diethyl ester
    • ETHYLDIETHOXYPHOSPHINE OXIDE
    • Ethylphosphonic Acid Diethyl Ester
    • ethyl-phosphonic acid diethyl ester
    • Ethylphosphonic acid, diethyl ester
    • Tox21_200361
    • Phosphonic acid, ethyl, diethyl ester
    • AKOS015839010
    • CAS-78-38-6
    • NCGC00091203-01
    • NCGC00091203-02
    • NCGC00257915-01
    • AC-37980
    • Phosphonic acid, P-ethyl-, diethyl ester
    • SMR001216581
    • Diethyl ethylphosphonate, >=98.0% (GC)
    • DB-056306
    • E0483
    • NS00019579
    • F17208
    • Q27294279
    • 201-111-9

  • Applications

    Diethyl ethylphosphonate is commonly used as an intermediate in the synthesis of organophosphorus compounds, particularly phosphonate esters for industrial chemical applications. It serves as a precursor for phosphonate esters employed in polymer chemistry, coatings, adhesives, and plastics. It also participates in C–P bond-forming reactions, such as Horner–Wadsworth–Emmons oleination, to furnish vinyl phosphonate derivatives. It is regarded as a building block for formulations related to flame retardants and polymer additives for coatings and plastics. Depending on local regulations and formulation limits, it may be evaluated for other specialized material applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1099.22
    methanol 2098.05
    isopropanol 805.24
    water 33.76
    ethyl acetate 416.3
    n-propanol 967.97
    acetone 631.29
    n-butanol 674.15
    acetonitrile 776.62
    DMF 1344.3
    toluene 391.45
    isobutanol 639.42
    1,4-dioxane 1032.77
    methyl acetate 532.13
    THF 1067.3
    2-butanone 624.27
    n-pentanol 571.43
    sec-butanol 853.69
    n-hexane 169.05
    ethylene glycol 441.8
    NMP 1219.56
    cyclohexane 328.43
    DMSO 1056.55
    n-butyl acetate 348.33
    n-octanol 409.86
    chloroform 2976.64
    n-propyl acetate 349.99
    acetic acid 895.95
    dichloromethane 2620.37
    cyclohexanone 1056.61
    propylene glycol 495.21
    isopropyl acetate 267.74
    DMAc 987.24
    2-ethoxyethanol 763.93
    isopentanol 427.12
    n-heptane 136.94
    ethyl formate 500.24
    1,2-dichloroethane 1252.61
    n-hexanol 510.7
    2-methoxyethanol 1188.98
    isobutyl acetate 233.58
    tetrachloromethane 555.84
    n-pentyl acetate 412.55
    transcutol 814.79
    n-heptanol 354.96
    ethylbenzene 256.35
    MIBK 266.03
    2-propoxyethanol 697.01
    tert-butanol 702.4
    MTBE 522.7
    2-butoxyethanol 484.1
    propionic acid 733.25
    o-xylene 290.71
    formic acid 559.59
    diethyl ether 577.22
    m-xylene 220.58
    p-xylene 331.22
    chlorobenzene 655.11
    dimethyl carbonate 206.24
    n-octane 86.63
    formamide 649.02
    cyclopentanone 968.08
    2-pentanone 431.75
    anisole 410.78
    cyclopentyl methyl ether 578.29
    gamma-butyrolactone 1074.11
    1-methoxy-2-propanol 715.49
    pyridine 1028.35
    3-pentanone 416.53
    furfural 1202.03
    n-dodecane 71.89
    diethylene glycol 555.6
    diisopropyl ether 173.01
    tert-amyl alcohol 715.24
    acetylacetone 396.35
    n-hexadecane 78.19
    acetophenone 426.06
    methyl propionate 395.27
    isopentyl acetate 302.16
    trichloroethylene 1978.06
    n-nonanol 337.67
    cyclohexanol 816.54
    benzyl alcohol 466.61
    2-ethylhexanol 306.36
    isooctanol 272.83
    dipropyl ether 304.87
    1,2-dichlorobenzene 643.54
    ethyl lactate 247.51
    propylene carbonate 587.9
    n-methylformamide 947.87
    2-pentanol 462.74
    n-pentane 187.02
    1-propoxy-2-propanol 448.73
    1-methoxy-2-propyl acetate 281.79
    2-(2-methoxypropoxy) propanol 325.42
    mesitylene 157.39
    ε-caprolactone 883.47
    p-cymene 183.33
    epichlorohydrin 1150.82
    1,1,1-trichloroethane 967.13
    2-aminoethanol 715.36
    morpholine-4-carbaldehyde 1105.09
    sulfolane 1327.78
    2,2,4-trimethylpentane 102.76
    2-methyltetrahydrofuran 856.08
    n-hexyl acetate 527.77
    isooctane 54.05
    2-(2-butoxyethoxy)ethanol 427.66
    sec-butyl acetate 233.68
    tert-butyl acetate 273.18
    decalin 128.2
    glycerin 633.42
    diglyme 801.53
    acrylic acid 675.67
    isopropyl myristate 208.21
    n-butyric acid 659.81
    acetyl acetate 269.3
    di(2-ethylhexyl) phthalate 213.3
    ethyl propionate 299.35
    nitromethane 1145.14
    1,2-diethoxyethane 403.46
    benzonitrile 641.79
    trioctyl phosphate 179.23
    1-bromopropane 832.84
    gamma-valerolactone 1321.46
    n-decanol 243.85
    triethyl phosphate 188.48
    4-methyl-2-pentanol 216.57
    propionitrile 766.77
    vinylene carbonate 727.07
    1,1,2-trichlorotrifluoroethane 1032.65
    DMS 299.85
    cumene 188.14
    2-octanol 330.3
    2-hexanone 375.37
    octyl acetate 273.96
    limonene 277.92
    1,2-dimethoxyethane 995.39
    ethyl orthosilicate 187.7
    tributyl phosphate 200.37
    diacetone alcohol 305.61
    N,N-dimethylaniline 338.61
    acrylonitrile 937.46
    aniline 516.66
    1,3-propanediol 716.35
    bromobenzene 666.64
    dibromomethane 1781.06
    1,1,2,2-tetrachloroethane 1745.5
    2-methyl-cyclohexyl acetate 300.95
    tetrabutyl urea 263.44
    diisobutyl methanol 173.18
    2-phenylethanol 382.17
    styrene 331.36
    dioctyl adipate 267.04
    dimethyl sulfate 345.24
    ethyl butyrate 279.65
    methyl lactate 301.63
    butyl lactate 317.29
    diethyl carbonate 217.53
    propanediol butyl ether 467.21
    triethyl orthoformate 242.31
    p-tert-butyltoluene 176.7
    methyl 4-tert-butylbenzoate 362.77
    morpholine 1213.98
    tert-butylamine 517.15
    n-dodecanol 189.78
    dimethoxymethane 643.29
    ethylene carbonate 604.96
    cyrene 392.9
    2-ethoxyethyl acetate 395.55
    2-ethylhexyl acetate 278.13
    1,2,4-trichlorobenzene 726.92
    4-methylpyridine 881.75
    dibutyl ether 349.52
    2,6-dimethyl-4-heptanol 173.18
    DEF 618.7
    dimethyl isosorbide 476.86
    tetrachloroethylene 1159.52
    eugenol 398.69
    triacetin 377.88
    span 80 371.68
    1,4-butanediol 419.09
    1,1-dichloroethane 1108.15
    2-methyl-1-pentanol 412.26
    methyl formate 668.61
    2-methyl-1-butanol 529.7
    n-decane 115.37
    butyronitrile 665.57
    3,7-dimethyl-1-octanol 314.66
    1-chlorooctane 328.94
    1-chlorotetradecane 137.83
    n-nonane 120.13
    undecane 86.4
    tert-butylcyclohexane 116.99
    cyclooctane 109.61
    cyclopentanol 889.35
    tetrahydropyran 991.34
    tert-amyl methyl ether 441.96
    2,5,8-trioxanonane 508.81
    1-hexene 346.69
    2-isopropoxyethanol 455.76
    2,2,2-trifluoroethanol 378.26
    methyl butyrate 432.01

    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