Diethyl Sulfate

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  • Identifiers

    CAS number
    64-67-5

    Molecular formula
    C4H10O4S

    SMILES
    CCOS(=O)(=O)OCC

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 41.95%
    Sulfurous 37.52%
    Fresh 31.8%
    Fruity 30.5%
    Onion 28.79%
    Roasted 24.87%
    Pungent 23.3%
    Cooked 22.42%
    Alliaceous 21.95%
    Ethereal 20.35%

     

    Flavor
    Bitter 48.0%
    Fruity 30.83%
    Cooked 20.9%
    Taco 20.01%
    Nutty 20.0%
    Acrid 19.82%
    Bouillon 19.74%
    Formyl 19.62%
    Matches 19.61%
    Marshmallow 19.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.57 (weak base)

    Molecular weight
    154.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -12 °F (USCG, 1999)
    • -25 °C

    Boiling point

    • 409 °F at 760 mmHg (USCG, 1999)
    • 209.5 °C with decomposition

    Flash point

    • 93.8 ˚C est.
    • 220 °F (USCG, 1999)
    • 104 °C
    • 220 °F (CLOSED CUP)
    • 104 °C c.c.

    Solubility expt.

    • Miscible in alcohol and ether.
    • In water, 7,000 mg/l @ 20 °C
    • Solubility in water: reaction

  • Synonyms

    • Diethyl sulfate
    • 64-67-5
    • Diethyl sulphate
    • Sulfuric acid, diethyl ester
    • DIETHYLSULFATE
    • Diaethylsulfat
    • Sulfuric acid diethyl ester
    • Diethyl Monosulfate
    • CCRIS 242
    • HSDB 1636
    • UNII-K0FO4VFA7I
    • Diethylester kyseliny sirove
    • EINECS 200-589-6
    • NSC 56380
    • UN1594
    • DTXSID1024045
    • CHEBI:34699
    • AI3-15355
    • MFCD00009099
    • NSC-56380
    • K0FO4VFA7I
    • Sulphuric acid diethyl ester
    • DIETHYL SULFATE [MI]
    • DIETHYLSULFATE [HSDB]
    • DIETHYL SULFATE [IARC]
    • DTXCID604045
    • EC 200-589-6
    • NSC56380
    • UN 1594
    • DIETHYL SULFATE (IARC)
    • Diethyl tetraoxosulfate
    • Diaethylsulfat [German]
    • DES (VAN)
    • CAS-64-67-5
    • Diethylester kyseliny sirove [Czech]
    • diethylsulphate
    • diethyl-sulphate
    • Ethyl sulfate (Et2SO4); DES; Diethyl sulfate; Ethyl sulfate; NSC 56380
    • diethylsulfuric acid
    • EtOSO3Et
    • Diethyl sulfate, 98%
    • Et2SO4
    • Ethyl sulfate (Et2SO4)
    • Sufuric Acid Diethyl Ester
    • Diethyl ester sulfuric acid
    • SCHEMBL1769
    • WLN: 2OSWO2
    • BIDD:ER0594
    • CHEMBL163100
    • DTXCID2023729
    • BCP25766
    • Tox21_202402
    • Tox21_300169
    • STL268863
    • AKOS009157686
    • FD12133
    • Diethyl sulfate [UN1594] [Poison]
    • NCGC00164138-01
    • NCGC00164138-02
    • NCGC00164138-03
    • NCGC00253940-01
    • NCGC00259951-01
    • D0525
    • NS00008605
    • Sulfuric acid, diethyl ester;Diethyl sulphate
    • Q421338
    • F0001-1737
    • 208-758-6

  • Applications

    Diethyl Sulfate (CAS 64-67-5) is a powerful alkylating agent used in organic synthesis to introduce ethyl groups into substrates. In industry, it is employed as an ethylating reagent to form ethylated intermediates and derivatives, including quaternary ammonium salts used in surfactants and functional polymer additives. It also serves as an intermediate in the manufacture of dyes and specialty chemicals, and is used in pharmaceutical and agrochemical synthesis to construct ethylated building blocks. In coatings, inks, and adhesives, ethylated reagents derived from Diethyl Sulfate enable resin modification and functionalization of binder systems. Due to its high reactivity and toxicity, handling is restricted and use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 76.5
    methanol 124.3
    isopropanol 66.69
    water 3.88
    ethyl acetate 266.07
    n-propanol 58.48
    acetone 449.27
    n-butanol 52.76
    acetonitrile 350.7
    DMF 1137.09
    toluene 131.4
    isobutanol 43.95
    1,4-dioxane 380.92
    methyl acetate 340.16
    THF 335.0
    2-butanone 322.06
    n-pentanol 48.1
    sec-butanol 75.04
    n-hexane 12.89
    ethylene glycol 38.08
    NMP 1300.3
    cyclohexane 36.66
    DMSO 773.11
    n-butyl acetate 122.24
    n-octanol 76.52
    chloroform 561.0
    n-propyl acetate 148.62
    acetic acid 281.62
    dichloromethane 580.87
    cyclohexanone 564.81
    propylene glycol 46.28
    isopropyl acetate 152.71
    DMAc 971.68
    2-ethoxyethanol 126.45
    isopentanol 42.75
    n-heptane 12.3
    ethyl formate 230.81
    1,2-dichloroethane 414.32
    n-hexanol 41.36
    2-methoxyethanol 239.02
    isobutyl acetate 68.64
    tetrachloromethane 68.0
    n-pentyl acetate 150.47
    transcutol 251.84
    n-heptanol 40.5
    ethylbenzene 82.03
    MIBK 102.56
    2-propoxyethanol 102.13
    tert-butanol 89.41
    MTBE 104.89
    2-butoxyethanol 82.15
    propionic acid 179.44
    o-xylene 115.2
    formic acid 125.98
    diethyl ether 102.45
    m-xylene 82.23
    p-xylene 120.43
    chlorobenzene 337.33
    dimethyl carbonate 153.72
    n-octane 11.75
    formamide 296.26
    cyclopentanone 622.06
    2-pentanone 203.16
    anisole 192.03
    cyclopentyl methyl ether 149.74
    gamma-butyrolactone 813.67
    1-methoxy-2-propanol 163.31
    pyridine 528.69
    3-pentanone 225.03
    furfural 937.84
    n-dodecane 13.79
    diethylene glycol 101.39
    diisopropyl ether 39.06
    tert-amyl alcohol 95.3
    acetylacetone 422.2
    n-hexadecane 15.98
    acetophenone 275.73
    methyl propionate 251.6
    isopentyl acetate 92.99
    trichloroethylene 961.24
    n-nonanol 67.99
    cyclohexanol 104.55
    benzyl alcohol 158.92
    2-ethylhexanol 37.94
    isooctanol 33.31
    dipropyl ether 50.63
    1,2-dichlorobenzene 388.6
    ethyl lactate 90.83
    propylene carbonate 397.99
    n-methylformamide 424.9
    2-pentanol 44.6
    n-pentane 12.54
    1-propoxy-2-propanol 83.49
    1-methoxy-2-propyl acetate 135.88
    2-(2-methoxypropoxy) propanol 132.0
    mesitylene 65.55
    ε-caprolactone 443.86
    p-cymene 50.86
    epichlorohydrin 563.34
    1,1,1-trichloroethane 351.11
    2-aminoethanol 53.25
    morpholine-4-carbaldehyde 864.75
    sulfolane 1123.27
    2,2,4-trimethylpentane 10.87
    2-methyltetrahydrofuran 241.22
    n-hexyl acetate 210.33
    isooctane 5.9
    2-(2-butoxyethoxy)ethanol 139.18
    sec-butyl acetate 92.31
    tert-butyl acetate 151.54
    decalin 21.28
    glycerin 86.38
    diglyme 287.64
    acrylic acid 242.92
    isopropyl myristate 88.88
    n-butyric acid 171.6
    acetyl acetate 249.92
    di(2-ethylhexyl) phthalate 93.77
    ethyl propionate 152.66
    nitromethane 966.23
    1,2-diethoxyethane 129.19
    benzonitrile 330.26
    trioctyl phosphate 66.01
    1-bromopropane 137.31
    gamma-valerolactone 924.5
    n-decanol 54.07
    triethyl phosphate 85.95
    4-methyl-2-pentanol 27.76
    propionitrile 184.07
    vinylene carbonate 488.25
    1,1,2-trichlorotrifluoroethane 461.64
    DMS 224.81
    cumene 54.92
    2-octanol 48.25
    2-hexanone 142.83
    octyl acetate 117.68
    limonene 69.69
    1,2-dimethoxyethane 295.01
    ethyl orthosilicate 68.44
    tributyl phosphate 81.94
    diacetone alcohol 151.47
    N,N-dimethylaniline 144.41
    acrylonitrile 375.02
    aniline 171.88
    1,3-propanediol 78.32
    bromobenzene 346.66
    dibromomethane 315.37
    1,1,2,2-tetrachloroethane 670.08
    2-methyl-cyclohexyl acetate 110.68
    tetrabutyl urea 134.58
    diisobutyl methanol 29.82
    2-phenylethanol 107.79
    styrene 122.13
    dioctyl adipate 134.67
    dimethyl sulfate 376.97
    ethyl butyrate 116.59
    methyl lactate 159.04
    butyl lactate 107.82
    diethyl carbonate 96.94
    propanediol butyl ether 112.69
    triethyl orthoformate 86.7
    p-tert-butyltoluene 50.07
    methyl 4-tert-butylbenzoate 215.03
    morpholine 347.29
    tert-butylamine 55.29
    n-dodecanol 44.44
    dimethoxymethane 290.06
    ethylene carbonate 337.83
    cyrene 192.13
    2-ethoxyethyl acetate 203.36
    2-ethylhexyl acetate 87.44
    1,2,4-trichlorobenzene 452.44
    4-methylpyridine 490.92
    dibutyl ether 83.26
    2,6-dimethyl-4-heptanol 29.82
    DEF 387.0
    dimethyl isosorbide 243.46
    tetrachloroethylene 380.12
    eugenol 186.37
    triacetin 262.32
    span 80 140.2
    1,4-butanediol 38.17
    1,1-dichloroethane 319.29
    2-methyl-1-pentanol 46.03
    methyl formate 367.51
    2-methyl-1-butanol 46.62
    n-decane 20.11
    butyronitrile 151.02
    3,7-dimethyl-1-octanol 60.99
    1-chlorooctane 69.46
    1-chlorotetradecane 35.58
    n-nonane 18.84
    undecane 16.26
    tert-butylcyclohexane 15.02
    cyclooctane 13.61
    cyclopentanol 122.96
    tetrahydropyran 212.17
    tert-amyl methyl ether 103.19
    2,5,8-trioxanonane 219.83
    1-hexene 38.86
    2-isopropoxyethanol 81.97
    2,2,2-trifluoroethanol 156.56
    methyl butyrate 203.31

    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