Dimethyl sulfate

C2H6O4S

dimethyl sulfate

CAS77-78-1
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
Danger

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Identification

CAS Number
77-78-1
EC Number
201-058-1
UN Number
1595
Index Number
016-023-00-4
PubChem CID
6497

Physical-chemical properties

Molecular Formula
C2H6O4S
Molar Mass
126.13 g/mol
IUPAC Name
dimethyl sulfate

Chemical Identifiers

InChI
InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3
InChI Key
VAYGXNSJCAHWJZ-UHFFFAOYSA-N

Overview

Dimethyl sulfate (CAS 77-78-1) is an organic sulfate ester compound widely used as a methylating agent in chemical synthesis and industrial applications. This highly reactive chemical substance serves as one of the most efficient methylating reagents in organic chemistry, enabling the introduction of methyl groups into various molecular structures. With its molecular formula C2H6O4S and molar mass of 126.13 g/mol, dimethyl sulfate demonstrates exceptional reactivity toward nucleophiles, making it invaluable for pharmaceutical intermediates, agrochemical production, and specialty chemical manufacturing. The compound presents significant safety considerations due to its classification as a Category 1B carcinogen and Category 2 mutagen under the CLP Regulation. Its acute toxicity profile (Acute Tox. 2 and 3) and skin corrosive properties (Skin Corr. 1B) require stringent handling protocols and specialized safety equipment. The GHS pictograms GHS08, GHS06, and GHS05 clearly indicate the health hazards, acute toxicity, and corrosive nature of this substance. Transportation falls under ADR Class 6.1, reflecting its toxic properties. Primary industrial applications include the methylation of phenols, amines, and carboxylic acids in pharmaceutical synthesis, production of methyl esters for various chemical processes, and manufacturing of methylated derivatives in agrochemical formulations. Unlike related alkylating agents such as chloromethylbenzene, dimethyl sulfate offers superior selectivity and efficiency in methylation reactions, though it requires more stringent safety protocols compared to compounds like 1-chloro-4-isocyanatobenzene. OYSI supplies dimethyl sulfate to qualified industrial customers with appropriate safety certifications and handling capabilities, ensuring compliance with European chemical regulations and safety standards.

Safety & Classification

Danger
Classification:

Carc. 1B; Muta. 2; Acute Tox. 2 *; Acute Tox. 3 *; Skin Corr. 1B; Skin Sens. 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H350

May cause cancer.

H341

Suspected of causing genetic defects.

H330

Fatal if inhaled.

H301

Toxic if swallowed.

H314

Causes severe skin burns and eye damage.

H317

May cause an allergic skin reaction.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Inhalation

Fatal

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Harmful

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Toxic

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number1595
ADR Class6.1
Packing GroupI
Tunnel CodeC/D
Proper Shipping NameDimethylsulfat
Marine PollutantNo

Frequently Asked Questions

What is dimethyl sulfate?

Dimethyl sulfate is a highly toxic chemical compound with the molecular formula C2H6O4S and CAS number 77-78-1. This organic sulfate ester has a molecular weight of 126.13 g/mol and serves as a powerful methylating agent in chemical synthesis. It is classified as a Category 1B carcinogen and Category 2 mutagen, making it one of the most hazardous methylating reagents used in industrial chemistry.

What are the physicochemical properties of dimethyl sulfate?

Dimethyl sulfate is a colorless, odorless liquid at room temperature with high chemical reactivity. It has a boiling point of 188°C and is slightly soluble in water, where it undergoes hydrolysis to form methanol and sulfuric acid. The compound is miscible with many organic solvents and has a density of approximately 1.33 g/cm³. Its high reactivity makes it unstable in the presence of moisture.

What is dimethyl sulfate used for?

Dimethyl sulfate is primarily used as a methylating agent in organic synthesis for pharmaceutical and chemical manufacturing. It serves in the production of dyes, pharmaceuticals, pesticides, and other fine chemicals where methyl groups need to be introduced into organic molecules. Due to its extreme toxicity and carcinogenic properties, its use is heavily restricted and limited to specialized industrial applications with strict safety controls.

How to handle dimethyl sulfate safely?

Dimethyl sulfate requires extreme safety precautions due to its carcinogenic and highly toxic nature. Full personal protective equipment including chemical-resistant gloves, protective clothing, eye protection, and respiratory protection must be worn. Work should only be conducted in well-ventilated areas or fume hoods by trained personnel. Skin contact must be avoided at all costs as absorption can occur without immediate symptoms.

How to store dimethyl sulfate correctly?

Dimethyl sulfate must be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Storage areas should be secured and accessible only to authorized personnel due to its carcinogenic properties. The compound should be kept away from water, alkalis, and reducing agents to prevent dangerous reactions. Temperature should be maintained below 25°C.

What to do in case of contact with dimethyl sulfate?

Dimethyl sulfate contact requires immediate emergency response due to its extreme toxicity. For skin contact, immediately remove contaminated clothing and flush the affected area with large amounts of water for at least 15 minutes. Seek immediate medical attention as symptoms may be delayed. For inhalation, move to fresh air immediately. Eye contact requires immediate irrigation with water and urgent medical care.

How to dispose of dimethyl sulfate appropriately?

Dimethyl sulfate disposal must be handled as hazardous waste according to local and international regulations due to its carcinogenic properties. The compound should never be poured down drains or disposed of with regular waste. Professional hazardous waste disposal companies must handle collection and treatment. Contaminated materials, containers, and protective equipment also require specialized hazardous waste disposal procedures.

How to transport dimethyl sulfate?

Dimethyl sulfate is classified under ADR Class 6.1 (Toxic substances) Packing Group I, indicating its high toxicity level. Transportation requires specialized dangerous goods packaging, proper labeling with GHS pictograms (GHS08, GHS06, GHS05), and documentation. Only certified dangerous goods transporters can handle shipments, and specific routing and emergency response procedures must be followed throughout the transport chain.

Is dimethyl sulfate subject to particular regulations?

Dimethyl sulfate is subject to extensive regulatory controls under REACH, CLP, and national chemical safety regulations due to its carcinogenic and mutagenic properties. Its use is heavily restricted in the EU, requiring special authorizations and risk assessments. Manufacturing, import, and use are controlled under occupational health regulations, and exposure limits are strictly enforced to protect workers and the environment.

Where to buy dimethyl sulfate in Europe?

Dimethyl sulfate is available through specialized chemical distributors like OYSI, which serves the European market with technical-grade chemicals. Due to its highly regulated status as a carcinogenic substance, purchases require proper licensing, safety documentation, and compliance with local regulations. Buyers must demonstrate legitimate industrial use and appropriate safety measures before procurement of this restricted chemical compound.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.