Dimethyl Sulfate

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  • Identifiers

    CAS number
    77-78-1

    Molecular formula
    C2H6O4S

    SMILES
    COS(=O)(=O)OC

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 59.82%
    Sulfurous 41.79%
    Onion 26.72%
    Pungent 26.15%
    Roasted 24.15%
    Cooked 23.66%
    Alliaceous 23.39%
    Fresh 22.16%
    Garlic 21.24%
    Sharp 20.34%

     

    Flavor
    Bitter 43.25%
    Sulfur 21.02%
    Formyl 20.53%
    Pungent 20.27%
    Taco 19.51%
    Rotten 19.36%
    Mousy 19.17%
    Acrid 19.14%
    Nitrile 19.07%
    Odorless 18.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    9.37 (weak base)

    Molecular weight
    126.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -25.15 °F (EPA, 1998)
    • -27 °C
    • -32 °C
    • -25 °F

    Boiling point

    • About 370 °F (with decomposition) (EPA, 1998)
    • About 188 °C with decomposition
    • BP: 76 °C at 15 mm Hg
    • 370 °F (decomposes)
    • 370 °F (Decomposes)

    Flash point

    • 67.7 ˚C est.
    • 182 °F (EPA, 1998)
    • 182 °F
    • 182 °F (83 °C) (open cup)
    • 83 °C c.c.

    Solubility expt.

    • 3 % at 64 °F (NIOSH, 2024)
    • Sol in ether, dioxane, acetone, aromatic hydrocarbons.
    • Sparingly sol in carbon disulfide, aliphatic hydrocarbons.
    • Miscible in ethanol; soluble in ethyl ether, carbon tetrachloride and benzene; insoluble in carbon disulfide
    • Solubility in water 2.8 g/100 ml at 18 °C. Hydrolysis is rapid at or above this temperature.
    • In water, 2,8X10+4 mg/L at 18 °C
    • Solubility in water, g/100ml at 18 °C: 2.8
    • (64 °F): 3%

  • Synonyms

    • DIMETHYL SULFATE
    • 77-78-1
    • dimethylsulfate
    • Dimethyl sulphate
    • Dimethyl monosulfate
    • Sulfuric acid, dimethyl ester
    • Dimethylsulfat
    • Sulfuric acid dimethyl ester
    • Sulfate dimethylique
    • Dimethylsulfaat
    • Dimetilsolfato
    • DMS (methyl sulfate)
    • Dwumetylowy siarczan
    • Sulfato de dimetilo
    • Methyle (sulfate de)
    • Sulfate de dimethyle
    • RCRA waste number U103
    • Dimethylester kyseliny sirove
    • DTXSID5024055
    • Sulfate de methyle
    • JW5CW40Z50
    • AI3-52118
    • NSC-56194
    • DTXCID904055
    • CHEBI:59050
    • NSC56194
    • Dimethyl ester of sulfuric acid
    • RefChem:5764
    • DMS(METHYL SULFATE)
    • 201-058-1
    • Dimethoxysulfone
    • DimethylSulphate
    • NSC 56194
    • Me2SO4
    • Methyl sulfate, Me2SO4
    • MFCD00008416
    • DIMETHYL SULFATE (13C2)
    • 286013-18-1
    • 1216599-58-4
    • Dimethylsulfat [Czech]
    • Methyl sulfate (VAN)
    • Dimethylsulfaat [Dutch]
    • Dimetilsolfato [Italian]
    • CAS-77-78-1
    • CCRIS 265
    • Dwumetylowy siarczan [Polish]
    • Sulfate dimethylique [French]
    • Sulfate de dimethyle [French]
    • Sulfato de dimetilo [Spanish]
    • HSDB 932
    • dimethyl sulfuric acid
    • Methyle (sulfate de) [French]
    • EINECS 201-058-1
    • UN1595
    • Dimethylester kyseliny sirove [Czech]
    • RCRA waste no. U103
    • BRN 0635994
    • dimethlysulfate
    • dimethysulfate
    • dimetylsulphate
    • UNII-JW5CW40Z50
    • dimethyl-sulfate
    • dirnethyl sulfate
    • dimethylsulfuric acid
    • EC 201-058-1
    • SCHEMBL1249
    • WLN: 1OSWO1
    • Dimethyl sulfate, >=99%
    • Sulphuric acid dimethyl ester
    • DIMETHYL SULFATE [MI]
    • CHEMBL162150
    • Dimethyl sulfate, >=99.8%
    • DIMETHYL SULFATE [HSDB]
    • DIMETHYL SULFATE [IARC]
    • (CH3)2SO4
    • BB_SC-11852
    • LLA01318
    • Tox21_202032
    • Tox21_300636
    • BBL034656
    • STL264200
    • AKOS000119929
    • EBC-618141
    • UN 1595
    • Dimethyl sulfate [UN1595] [Poison]
    • NCGC00248118-01
    • NCGC00248118-02
    • NCGC00254411-01
    • NCGC00259581-01
    • BP-21324
    • FD138655
    • VS-12630
    • Dimethyl sulfate, purum, >=95.0% (GC)
    • D0797
    • NS00006257
    • EN300-19226
    • C19177
    • Dimethyl Sulfate(Discontinued,See C4X-25581)
    • Dimethyl sulfate, SAJ first grade, >=99.0%
    • Q413421
    • Dimethyl sulfate, puriss. p.a., >=99.0% (GC)
    • InChI=1/C2H6O4S/c1-5-7(3,4)6-2/h1-2H
    • Dimethyl sulfate, for GC derivatization, >=99.0% (GC)
    • Sulfuric Acid Dimethyl Ester; Dimethyl Sulphate; Methyl Sulfate; NSC 56194; DMS
    • 139443-72-4
    • 62086-97-9
    • 98478-67-2
    • 77-78-1

  • Applications

    Dimethyl sulfate (CAS 77-78-1) is a strong methylating reagent used in organic synthesis to convert hydroxyl, amino, and thiol groups into their methyl ethers, methyl esters, or to form quaternary ammonium salts. In industrial manufacturing, it serves as a key intermediate for the production of important pharmaceutical and agrochemical compounds, and as a source of aromatic ethers such as anisole for fragrance and flavor chemistry. It is also used to prepare quaternary ammonium salts via methylation of tertiary amines, providing cationic surfactants for detergents, coatings, and paper processing. In polymer and plastics chemistry, it can be employed to introduce methyl groups into monomers or to synthesize quaternized polymers with altered properties. It is predominantly used in research and development laboratories for methylation steps and as an intermediate in specialty chemical manufacturing. It must be handled under strict regulatory controls and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 63.51
    methanol 118.84
    isopropanol 49.73
    water 44.7
    ethyl acetate 57.24
    n-propanol 37.37
    acetone 184.13
    n-butanol 29.85
    acetonitrile 138.87
    DMF 431.97
    toluene 20.45
    isobutanol 26.82
    1,4-dioxane 114.35
    methyl acetate 89.52
    THF 117.67
    2-butanone 92.44
    n-pentanol 22.56
    sec-butanol 38.35
    n-hexane 3.69
    ethylene glycol 36.25
    NMP 315.82
    cyclohexane 7.15
    DMSO 416.01
    n-butyl acetate 23.83
    n-octanol 17.46
    chloroform 103.09
    n-propyl acetate 32.05
    acetic acid 119.99
    dichloromethane 119.57
    cyclohexanone 96.9
    propylene glycol 24.69
    isopropyl acetate 40.13
    DMAc 315.07
    2-ethoxyethanol 88.82
    isopentanol 26.5
    n-heptane 4.22
    ethyl formate 70.79
    1,2-dichloroethane 80.25
    n-hexanol 15.73
    2-methoxyethanol 157.53
    isobutyl acetate 15.4
    tetrachloromethane 26.31
    n-pentyl acetate 22.77
    transcutol 93.5
    n-heptanol 14.02
    ethylbenzene 12.07
    MIBK 42.0
    2-propoxyethanol 45.8
    tert-butanol 77.13
    MTBE 67.3
    2-butoxyethanol 32.33
    propionic acid 45.2
    o-xylene 24.52
    formic acid 149.9
    diethyl ether 62.4
    m-xylene 16.12
    p-xylene 19.45
    chlorobenzene 30.45
    dimethyl carbonate 52.88
    n-octane 2.42
    formamide 282.42
    cyclopentanone 132.48
    2-pentanone 66.53
    anisole 47.88
    cyclopentyl methyl ether 55.52
    gamma-butyrolactone 139.08
    1-methoxy-2-propanol 95.5
    pyridine 79.18
    3-pentanone 62.19
    furfural 187.28
    n-dodecane 2.01
    diethylene glycol 53.79
    diisopropyl ether 19.66
    tert-amyl alcohol 59.92
    acetylacetone 111.58
    n-hexadecane 2.25
    acetophenone 59.59
    methyl propionate 62.0
    isopentyl acetate 21.99
    trichloroethylene 139.13
    n-nonanol 16.01
    cyclohexanol 32.1
    benzyl alcohol 35.45
    2-ethylhexanol 11.5
    isooctanol 12.17
    dipropyl ether 20.74
    1,2-dichlorobenzene 37.93
    ethyl lactate 25.85
    propylene carbonate 65.45
    n-methylformamide 189.33
    2-pentanol 25.31
    n-pentane 5.55
    1-propoxy-2-propanol 31.04
    1-methoxy-2-propyl acetate 38.27
    2-(2-methoxypropoxy) propanol 43.93
    mesitylene 13.64
    ε-caprolactone 70.27
    p-cymene 12.34
    epichlorohydrin 125.28
    1,1,1-trichloroethane 62.06
    2-aminoethanol 44.16
    morpholine-4-carbaldehyde 222.52
    sulfolane 198.5
    2,2,4-trimethylpentane 4.55
    2-methyltetrahydrofuran 84.0
    n-hexyl acetate 28.2
    isooctane 2.57
    2-(2-butoxyethoxy)ethanol 43.24
    sec-butyl acetate 21.2
    tert-butyl acetate 53.88
    decalin 4.02
    glycerin 52.77
    diglyme 107.1
    acrylic acid 55.68
    isopropyl myristate 14.78
    n-butyric acid 46.13
    acetyl acetate 52.9
    di(2-ethylhexyl) phthalate 17.05
    ethyl propionate 31.74
    nitromethane 374.93
    1,2-diethoxyethane 39.35
    benzonitrile 44.65
    trioctyl phosphate 12.16
    1-bromopropane 32.12
    gamma-valerolactone 190.96
    n-decanol 11.8
    triethyl phosphate 21.26
    4-methyl-2-pentanol 16.51
    propionitrile 54.31
    vinylene carbonate 69.41
    1,1,2-trichlorotrifluoroethane 107.97
    DMS 31.92
    cumene 10.29
    2-octanol 12.79
    2-hexanone 37.79
    octyl acetate 17.95
    limonene 17.97
    1,2-dimethoxyethane 158.37
    ethyl orthosilicate 18.9
    tributyl phosphate 14.0
    diacetone alcohol 66.27
    N,N-dimethylaniline 44.11
    acrylonitrile 84.39
    aniline 36.2
    1,3-propanediol 54.17
    bromobenzene 27.02
    dibromomethane 70.09
    1,1,2,2-tetrachloroethane 108.6
    2-methyl-cyclohexyl acetate 25.06
    tetrabutyl urea 24.89
    diisobutyl methanol 11.73
    2-phenylethanol 24.73
    styrene 15.46
    dioctyl adipate 23.07
    dimethyl sulfate 110.54
    ethyl butyrate 25.99
    methyl lactate 46.13
    butyl lactate 20.63
    diethyl carbonate 21.13
    propanediol butyl ether 29.46
    triethyl orthoformate 22.07
    p-tert-butyltoluene 12.92
    methyl 4-tert-butylbenzoate 48.93
    morpholine 110.45
    tert-butylamine 47.23
    n-dodecanol 9.09
    dimethoxymethane 165.2
    ethylene carbonate 49.98
    cyrene 65.47
    2-ethoxyethyl acetate 36.28
    2-ethylhexyl acetate 17.66
    1,2,4-trichlorobenzene 45.84
    4-methylpyridine 80.22
    dibutyl ether 17.05
    2,6-dimethyl-4-heptanol 11.73
    DEF 109.89
    dimethyl isosorbide 69.87
    tetrachloroethylene 81.8
    eugenol 40.74
    triacetin 43.38
    span 80 30.03
    1,4-butanediol 25.82
    1,1-dichloroethane 64.08
    2-methyl-1-pentanol 20.08
    methyl formate 160.41
    2-methyl-1-butanol 25.65
    n-decane 3.39
    butyronitrile 45.52
    3,7-dimethyl-1-octanol 17.5
    1-chlorooctane 10.53
    1-chlorotetradecane 4.96
    n-nonane 3.16
    undecane 2.5
    tert-butylcyclohexane 3.49
    cyclooctane 3.31
    cyclopentanol 40.13
    tetrahydropyran 57.65
    tert-amyl methyl ether 55.28
    2,5,8-trioxanonane 78.36
    1-hexene 9.76
    2-isopropoxyethanol 52.0
    2,2,2-trifluoroethanol 96.27
    methyl butyrate 46.11

    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