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 with potent methylating properties and significant toxicological hazards. Dimethyl sulfate represents one of the most reactive methylating agents available in industrial chemistry, characterized by its exceptional efficiency in introducing methyl groups into organic molecules. This colorless, oily liquid with the molecular formula C2H6O4S serves as a critical intermediate in pharmaceutical synthesis, agrochemical production, and specialty chemical manufacturing. Despite its widespread industrial utility, dimethyl sulfate demands extreme caution due to its classification as a Category 1B carcinogen and Category 2 mutagen under the CLP regulation. The compound exhibits high reactivity with nucleophiles, making it particularly effective for O-methylation and N-methylation reactions. Its vapor pressure characteristics require careful handling in controlled environments, as exposure can occur through both dermal contact and inhalation. The substance's corrosive properties necessitate specialized storage and handling protocols, with particular attention to personal protective equipment and ventilation systems. Primary industrial applications include the synthesis of pharmaceutical intermediates, where its methylating capability proves invaluable for creating complex molecular structures. The agrochemical industry utilizes dimethyl sulfate for producing various pesticide formulations and herbicide precursors. Unlike related compounds such as chloromethylbenzene or 1-chloro-4-isocyanatobenzene, dimethyl sulfate offers superior selectivity in methylation reactions, though with correspondingly higher safety requirements. OYSI maintains availability of dimethyl sulfate for qualified industrial customers, ensuring compliance with all relevant European chemical regulations and providing comprehensive safety documentation for responsible handling and application.

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 organosulfur compound with the molecular formula C2H6O4S and CAS number 77-78-1. This chemical substance has a molecular weight of 126.13 g/mol and appears as a colorless, oily liquid. It is classified as extremely hazardous due to its carcinogenic, mutagenic, and acute toxic properties, requiring strict safety protocols during handling and use in industrial applications.

What are the physicochemical properties of dimethyl sulfate?

Dimethyl sulfate is a colorless, oily liquid at room temperature with a faint onion-like odor. It has a high boiling point of approximately 188°C and is slightly soluble in water, though it hydrolyzes slowly. The compound is miscible with most organic solvents including alcohols and ethers. It is denser than water and exhibits strong alkylating properties due to its chemical structure.

What is dimethyl sulfate used for?

Dimethyl sulfate is primarily used as a methylating agent in organic synthesis and pharmaceutical manufacturing. It serves as an intermediate in the production of dyes, pharmaceuticals, and agricultural chemicals. The compound is also utilized in laboratory research for methylation reactions and in the manufacture of certain surfactants and quaternary ammonium compounds. Due to its extreme toxicity, its use is highly regulated and restricted.

How to handle dimethyl sulfate safely?

Dimethyl sulfate requires extreme safety precautions including full chemical-resistant protective clothing, chemical-resistant gloves, and respiratory protection with supplied air. Work must be conducted in a well-ventilated area or fume hood. Avoid all contact with skin, eyes, and inhalation of vapors. Use only in closed systems when possible, and ensure emergency shower and eyewash stations are immediately accessible during handling operations.

How to store dimethyl sulfate correctly?

Dimethyl sulfate must be stored in a cool, dry, well-ventilated area away from heat sources, direct sunlight, and incompatible materials. Keep containers tightly closed and use corrosion-resistant materials for storage. Store separately from bases, alcohols, and water due to potential violent reactions. Maintain storage temperature below 25°C and ensure proper secondary containment to prevent environmental contamination in case of spills.

What to do in case of contact with dimethyl sulfate?

Skin contact requires immediate removal of contaminated clothing and thorough washing with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting. Seek immediate medical attention for all exposure routes, as delayed toxic effects may occur even with minimal exposure.

How to dispose of dimethyl sulfate appropriately?

Dimethyl sulfate disposal must comply with local and international hazardous waste regulations as it is classified as extremely hazardous waste. The substance should be incinerated at high temperatures in approved hazardous waste facilities with appropriate emission controls. Never dispose of in regular waste streams, sewers, or soil. Contact licensed hazardous waste disposal companies and maintain proper documentation of disposal activities as required by regulations.

How to transport dimethyl sulfate?

Dimethyl sulfate is classified under ADR Class 6.1 (toxic substances) with Packing Group I, indicating maximum danger level. Transport requires UN-approved packaging, proper labeling with GHS08, GHS06, and GHS05 pictograms, and appropriate shipping documentation. Vehicles must carry emergency equipment and drivers need special training. The substance requires temperature-controlled transport and must be segregated from incompatible materials during shipment.

Is dimethyl sulfate subject to particular regulations?

Dimethyl sulfate is subject to strict regulations under REACH, CLP, and national chemical legislation due to its classification as Carc. 1B, Muta. 2, and Acute Tox. 2. Its use is heavily restricted and requires special authorization in many applications. The substance falls under workplace exposure limits, requires specialized training for handlers, and is subject to reporting requirements for manufacturing, import, and use quantities.

Where to buy dimethyl sulfate in Europe?

Dimethyl sulfate is available through OYSI, a specialized European distributor of technical chemicals, subject to strict regulatory compliance and customer qualification requirements. Due to its extreme hazard classification, purchase requires demonstration of legitimate industrial use, appropriate safety infrastructure, and regulatory compliance. OYSI ensures proper documentation, regulatory compliance, and technical support for qualified industrial customers throughout Europe.

Data Sources

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