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77-78-1

77-78-1 Structure

77-78-1 Structure
IdentificationMore
[Name]

Dimethyl sulfate
[CAS]

77-78-1
[Synonyms]

AKOS BBS-00004221
DIMETHYL SULFATE
DIMETHYL SULPHATE
METHYL SULFATE
SULFURIC ACID DIMETHYL ESTER
SULPHURIC ACID DIMETHYL ESTER
ai3-52118
Dimethoxysulfone
Dimethyl monosulfate
Dimethylester kyseliny sirove
dimethylesterkyselinysirove
dimethylesterkyselinysirove(czech)
dimethylmonosulfate
Dimethylsulfaat
Dimethylsulfat
dimethylsulfat(czech)
Dimetilsolfato
DMS (Methyl sulfate)
dms(methylsulfate)
Dwumetylowy siarczan
[EINECS(EC#)]

201-058-1
[Molecular Formula]

C2H6O4S
[MDL Number]

MFCD00008416
[Molecular Weight]

126.13
[MOL File]

77-78-1.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-32 °C
[mp ]

-32 °C
[Boiling point ]

188 °C(lit.)
[bp ]

188 °C(lit.)
[density ]

1.333 g/mL at 25 °C(lit.)
[vapor density ]

4.3 (vs air)
[vapor pressure ]

0.7 mm Hg ( 25 °C)
[refractive index ]

n20/D 1.386(lit.)
[Fp ]

182 °F
[storage temp. ]

2-8°C
[solubility ]

ethanol: 0.26 g/mL, clear, colorless
[form ]

Liquid
[color ]

Clear colorless
[Odor]

Almost odorless
[Stability:]

Stable; combustible. Incompatible with strong oxidizing agents, strong bases including ammonia. Moisture-sensitive.
[Water Solubility ]

2.8 g/100 mL (18 ºC)
[Merck ]

13,3282
[BRN ]

635994
[Exposure limits]

TLV/PEL-TWA skin 0.1 ppm (0.52 mg/m3 ) (ACGIH, OSHA, NIOSH) IDLH 10 ppm (NIOSH).
[CAS DataBase Reference]

77-78-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Sulfuric acid, dimethyl ester(77-78-1)
[IARC]

2A (Vol. 4, Sup 7, 71) 1999
[EPA Substance Registry System]

77-78-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T+
[Risk Statements ]

R45:May cause cancer.
R25:Toxic if swallowed.
R26:Very Toxic by inhalation.
R34:Causes burns.
R43:May cause sensitization by skin contact.
R68:Possible risk of irreversible effects.
[Safety Statements ]

S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 1595 6.1/PG 1
[WGK Germany ]

2
[RTECS ]

WS8225000
[F ]

21
[Autoignition Temperature]

495 °C
[HazardClass ]

6.1(a)
[PackingGroup ]

I
[HS Code ]

29209090
[Safety Profile]

Confirmed carcinogen with experimental carcinogenic, tumorigenic, and teratogenic data. Human poison by inhalation. Experimental poison by ingestion, inhalation, intravenous, and subcutaneous routes. Other experimental reproductive effects. Human mutation datareported. A corrosive irritant to skin, eyes, and mucous membranes. There is no odor or initial irritation to give warning of exposure. On brief, dd exposures, conjunctivitis, catarrhal inflammation of the mucous membranes of the nose, throat, larynx, and trachea, and possibly some reddening of the skin develop after the latent period. With longer, heavier exposures, the cornea shows clouding, the irritation changes to the nasopharynx are more marked, and after 6 to 8 hours pulmonary edema may develop. Death may occur in 3 or 4 days. The liver and kidneys are frequently damaged. Spang of the liquid on the skin can cause ulceration and localnecrosis. In patients surviving severe exposure, there may be serious injury of the liver and hdneys, with suppression of urine, jaunlce, albuminuria, and hematuria appearing. Death, resulting from the hdney or liver damage, may be delayed for several weeks. Flammable when exposed to heat, flame, or oxidizers. Can react with oxidizing materials. Violent reaction with NH4OH and NaN3. To fight fire, use water, foam, CO2, dry chemical. When heated to decomposition it emits toxic fumes of SOx See also SULFATES.
[Hazardous Substances Data]

77-78-1(Hazardous Substances Data)
[Toxicity]

LD50 orally in rats: 440 mg/kg (Smyth)
Raw materials And Preparation ProductsBack Directory
【Raw materials】

Methanol-->Sulfuric acid-->FUMING SULFURIC ACID-->Sulfur-->Chlorosulfonic acid-->Nicotinic acid-->Sulfur trioxide-->OLEU
【Preparation Products】

2,5-Dimethoxy-4-chloroaniline-->4-DiMethylaMino Antipyrine-->5-Chloro-2-methoxybenzoic acid-->o-Anisic acid-->α-Dimethoxymethyl-methoxypropionitrile-->Methyl cedryl ether-->antistatic Agent TM-->2,4,5-Trimethoxynitrobenzene -->4-METHYLDIBENZOTHIOPHENE-->2,4-Dimethoxybenzoic acid-->Methyl trifluoromethanesulfonate-->6-AMINO-2-METHYLTHIO-3-METHYLURACIL-->3,5-DIBROMO-2-METHOXYBENZALDEHYDE-->Fursultiamine-->5-Chloro-2-(methylamino)benzophenone-->3-(Dimethylamino)benzoic acid-->7-METHYLGUANINE-->2-(4-aminophenyl)propiononitrile-->Methyl 4-acetamido-2-methoxybenzoate-->1-CHLOROMETHYL-2,3,4-TRIMETHOXYBENZENE-->Oxybenzone-->5-(Dimethylamino)-1-naphthalenesulfonic acid-->7-METHOXY-3,4,5,6-TETRAHYDRO-2H-AZEPINE-->3'-DIMETHYLAMINOACETOPHENONE-->BIFENAZATE-->2-(4-(ACETYLAMINO)PHENYL)PROPIONITRILE-->Cationic surface active agent-->3,5-Dimethoxybenzoic acid-->Methyl 4-acetamido-5-chloro-2-methoxybenzoate-->softening CS-->1-METHYL-5-NITROIMIDAZOLE-->2-(4-ACETAMINO-3-CHLOROPHENYL)PROPIONITRILE-->3,4-DIHYDROXY-5-METHOXYBENZOIC ACID METHYL ESTER-->trimethyl lauroylaminopropyl ammonium methylsulfate-->SCOPARONE-->3,4,5-TRIMETHOXYBENZHYDRAZIDE-->2-(METHYLTHIO)BENZOIC ACID-->BENZOIC 2-BENZOYL-1,2-DIMETHYLHYDRAZIDE-->2-(4-Nitrophenyl)propiononitrile-->Cationic Brilliant Blue RL
Hazard InformationBack Directory
[General Description]

DIMETHYL SULFATE(77-78-1) is a colorless oily liquid, odorless to a faint onion-like odor. DIMETHYL SULFATE(77-78-1) is very toxic by inhalation. DIMETHYL SULFATE(77-78-1) is a combustible liquid and has a flash point of 182°F. DIMETHYL SULFATE(77-78-1) is slightly soluble in water and decomposed by water to give sulfuric acid with evolution of heat. DIMETHYL SULFATE(77-78-1) is corrosive to metals and tissue.
[Reactivity Profile]

Pure DIMETHYL SULFATE and concentrated aqueous ammonia react extremely violently with one another, as is the case for tertiary organic bases, [NFPA 491M, 1991]. Dimethyl sulfate ignites in contact with unheated barium chlorite, due to the rapid formation of unstable methyl chlorite. The product of methylating an unnamed material at 110°C was alloyed to remain in a reactor for 80 min. before the reactor exploded. This involved a sulfur ester such as dimethyl sulfate, [MCA Case History No. 1786].
[Air & Water Reactions]

Water soluble.
[Health Hazard]

Acute: extremely toxic vapors and liquid--a few whiffs or contact on skin could be fatal. Also acutely toxic if ingested. Delayed effects which are ultimately fatal may also occur. Lethal concentrations as low as 97 ppm/10 min have been reported in humans. DNA inhibition and damage to human somatic cells, and sister chromatid exchange in human fibroblast cells were observed. Delayed appearance of symptoms may permit unnoticed exposure to lethal quantities.
[Fire Hazard]

Material is normally stable even under fire exposure conditions and is not hazardously reactive with water. DIMETHYL SULFATE is incompatible with strong oxidizers and strong ammonia solutions.
[Definition]

ChEBI: The dimethyl ester of sulfuric acid.
[Preparation]

Dimethyl sulfate is prepared by distillation of an oleum/methanol mixture; technical production using dimethyl ether and SO3 has also been reported (NLM, 2013).
[Flammability and Explosibility]

Dimethyl sulfate is a combustible liquid (NFPA rating = 2). Toxic dimethyl sulfate vapors are produced in a fire. Carbon dioxide or dry chemical extinguishers should be used to fight dimethyl sulfate fires.
[Chemical Reactivity]

Reactivity with Water Slow, non-hazardous reaction; Reactivity with Common Materials: Corrodes metal when wet; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Sodium bicarbonate or lime; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
[Carcinogenicity]

Dimethyl sulfate is reasonably anticipated to be a human carcinogenbased on sufficient evidence of carcinogenicity from studies in experimental animals.
[Environmental Fate]

Chemical/Physical. Hydrolyzes in water (half-life = 1.2 h) to methanol and sulfuric acid (Robertson and Sugamori, 1966) via the intermediate methyl sulfuric acid (Du Pont, 1999a)
[storage]

work with dimethyl sulfate should be conducted in a fume hood to prevent exposure by inhalation, and appropriate impermeable gloves and safety goggles should be worn at all times to prevent skin and eye contact.
[Incompatibilities]

Dimethyl sulfate can react violently with ammonium hydroxide, sodium azide, and strong oxidizers.
[Waste Disposal]

Excess dimethyl sulfate and waste material containing this substance should be placed in a covered metal container, clearly labeled, and handled according to your institution's waste disposal guidelines.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Dimethyl sulfate(77-78-1).msds
Questions And AnswerBack Directory
[Description]

Dimethyl sulfate (chemical formula: (CH3O)2SO2) is an odorless, corrosive, oily liquid which can release toxic fumes during heating. It can be synthesized through the esterification of sulfuric acid with methanol, and alternatively by the distillation of methyl hydrogen sulfate.
Dimethyl sulfate
In industry, dimethyl sulfate is used as a methylating agent for the manufacture of many organic chemicals. It can be used for methylation of phenols, amines, and thiol. Moreover, it can be used for base sequencing and DNA chain cleavage since it can rupture the imidazole rings present in guanine. It can also be used for protein-DNA interaction analysis. However, its vapor is toxic to eyes and lungs, can do harm to our body. It is a potential carcinogen based on known experimental data.
[Chemical Properties]

Dimethyl sulfate is a colorless, oily liquid that is slightly soluble in water. It has a faint, onion-like odor; the odor threshold has not been established. The vapor pressure for dimethyl sulfate is 0.5 mm Hg at 20 °C, and it has a log octanol/water partition coefficient (log Kow ) of 0.032.
[Uses]

Dimethyl sulphate has been used since the beginning of the century as a methylating agent in the preparation of organic chemical products and colouring agents, in the perfume industry, and in other processes. It is a colourless or yellowish liquid of oily consistency which vaporizes at 50℃. and has a slight piquant smell. Both the liquid and the vapour are vesicants and by virtue of this property may be used in warfare.
[References]

https://en.wikipedia.org/wiki/Dimethyl_sulfate
https://pubchem.ncbi.nlm.nih.gov/compound/dimethyl_sulfate#section=Top
Spectrum DetailBack Directory
[Spectrum Detail]

Dimethyl sulfate(77-78-1) MS
Dimethyl sulfate(77-78-1) 1H NMR
Dimethyl sulfate(77-78-1) IR1
Dimethyl sulfate(77-78-1) 13C NMR
Dimethyl sulfate(77-78-1) IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Dimethyl sulfate, 99+%(77-78-1)
[Sigma Aldrich]

77-78-1(sigmaaldrich)
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