dimethyl sulfate
CAS No.: 77-78-1 Formula: C2H6O4S Molecular Weight: 126.13200
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dimethyl sulfate

CAS No.: 77-78-1 Formula: C2H6O4S Molecular Weight: 126.13200
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Description

Dimethyl sulfate is a chemical compound with formula (CH3O)2SO2. As the diester of methanol and sulfuric acid, its formula is often written as (CH3)2SO4 or even Me2SO4, where CH3 or Me is methyl. Me2SO4 is mainly used as a methylating agent in organic synthesis.
Under standard conditions, Me2SO4 is a colourless oily liquid with a slight onion-like odour (although smelling it would represent significant exposure). Like all strong alkylating agents, Me2SO4 is extremely toxic. Its use as a laboratory reagent has been superseded to some extent by methyl triflate, CF3SO3CH3, the methyl ester of trifluoromethanesulfonic acid.

Properties

Appearance & Physical State Clear oily liquid
Density 1.333
Boiling Point 188ºC
Melting Point -32ºC
Flash Point 83ºC
Refractive Index 1.386-1.388
Stability Stable; combustible. Incompatible with strong oxidizing agents, strong bases including ammonia. Moisture-sensitive.
Storage Condition 2-8ºC

Safety Info

Hazard Class 6.1(a)
Safety Statements S45-S53
HS Code 2920909090
RIDADR UN 1595
Risk Statements R25; R26; R34; R43; R45; R68
Hazard Codes T+
Hazard Declaration H301; H314; H317; H330; H341; H350
Symbol GHS05, GHS06, GHS08
Signal Word Danger
Caution Statement P201; P260; P280; P301 + P310 + P330; P303 + P361 + P353; P304 + P340 + P310; P305 + P351 + P338; P308 + P313; P403 + P233
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name dimethyl sulfate

1.2 Other means of identification

Product number -
Other names Sulfuric acid, dimethyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Dimethyl sulfate is used as a methylating agent in the manufacture of many organic chemicals. It is also used in the manufacture of dyes and perfumes, for the separation of mineral oils, and for the analysis of auto fluids. (-) Formerly, dimethyl sulfate was used as a war gas. (-4)
Uses advised against no data available

1.4 Supplier's details

Company XiXisys.com
Address XiXisys.com
Telephone XiXisys.com
Fax XiXisys.com

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Skin corrosion, Category 1B

Skin sensitization, Category 1

Acute toxicity - Inhalation, Category 2

Germ cell mutagenicity, Category 2

Carcinogenicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H314 Causes severe skin burns and eye damage

H317 May cause an allergic skin reaction

H330 Fatal if inhaled

H341 Suspected of causing genetic defects

H350 May cause cancer

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/…

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P320 Specific treatment is urgent (see ... on this label).

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
dimethyl sulfate dimethyl sulfate 77-78-1 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer immediately for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer immediately for medical attention.

In case of eye contact

Rinse with plenty of water (remove contact lenses if easily possible). Refer immediately for medical attention.

If swallowed

Rinse mouth. Give one or two glasses of water to drink. Do NOT induce vomiting. Refer immediately for medical attention.

4.2 Most important symptoms/effects, acute and delayed

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. (EPA, 1998)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

IN ALL CASES CONSULT A DOCTOR! INHALATION: Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention. SKIN: Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention. EYES: First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor. INGESTION: Rinse mouth. Give plenty of water to drink. Refer for medical attention immediately.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Water, foam, carbon dioxide, dry chemical ... .

5.2 Specific hazards arising from the chemical

Material is normally stable even under fire exposure conditions and is not hazardously reactive with water. It is incompatible with strong oxidizers and strong ammonia solutions. (EPA, 1998)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Evacuate danger area! Consult an expert! Personal protection: complete protective clothing including self-contained breathing apparatus. Ventilation. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable containers. Absorb remaining liquid in dry sand or inert absorbent. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Spillage should only be dealt with by trained personnel wearing full protective clothing, a full-face mask, and positive-pressure breathing apparatus. Soda ash or 3% ammonia solution may be applied to liquid spills. Sprays of 3% ammonia solution may be used to "knock down" the vapor over spillages. After complete neutralization, spillages may be washed away... If dimethyl sulfate has entered a watercourse ... or contaminated soil or vegetation, advise the police and public authorities.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Separated from food and feedstuffs and incompatible materials. See Chemical Dangers. Cool. Dry. Well closed. Ventilation along the floor. Store in an area without drain or sewer access.PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practicable to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator, or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... . Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

NIOSH considers dimethyl sulfate to be a potential occupational carcinogen.

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 0.1 ppm (0.5 mg/cu m), skin.

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state Clear oily liquid
Colour Colorless oily liquid
Odour Essentially odorless
Melting point/ freezing point 63°C(lit.)
Boiling point or initial boiling point and boiling range 188°C(lit.)
Flammability Class IIIA Combustible Liquid: Fl.P. at or above 60°C and below 93.33°C.Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 83°C
Auto-ignition temperature 495°C
Decomposition temperature 188°C
pH no data available
Kinematic viscosity no data available
Solubility 3 % at 17.78°C (NIOSH, 2016)
Partition coefficient n-octanol/water (log value) log Kow = 0.16 (est)
Vapour pressure 0.1 to 0.5 mm Hg at 20°C (EPA, 1998)
Density and/or relative density 1.333g/mLat 25°C(lit.)
Relative vapour density 4.3 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable at room temperature.

10.3 Possibility of hazardous reactions

MODERATE, WHEN EXPOSED TO HEAT OR FLAME.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 allowed 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].

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Can react with oxidizing materials.

10.6 Hazardous decomposition products

Note: Decomposes in water to sulfuric acid; corrosive to metals.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 140 mg/kg bw
  • Inhalation: LC50 Guinea pig inhalation 167 mg/cu m (32 ppm)/60 min.
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

Evaluation: There is inadequate evidence for the carcinogenicity in humans of dimethyl sulfate. There is sufficient evidence for the carcinogenicity in experimental animals of dimethyl sulfate. Overall evaluation: Dimethyl sulfate is probably carcinogenic to humans (Group 2A). In making the overall evaluation, the Working Group took into consideration that dimethyl sulfate is a potent genotoxic chemical which can directly alkylate DNA both in vitro and in vivo.

Reproductive toxicity

No information is available on the reproductive or developmental effects of dimethyl sulfate in humans. Dimethyl sulfate has been reported to produce tumors in the offspring of rats exposed intravenously.

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: LC50; Species: Lepomis macrochirus (Bluegill, length 33-75 mm); Conditions: freshwater, static, 23°C, pH 7.6-7.9, hardness 55 mg/L CaCO3; Concentration: 7500 ug/L for 96 hr /99% purity
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

Based upon the hydrolysis of dimethyl sulfate in aqueous environments(1), bioconcentration is not expected to be a primary removal process in aquatic systems(SRC).

12.4 Mobility in soil

Based upon the hydrolysis of dimethyl sulfate in aqueous environments(1), adsorption to soil and leaching are not expected to be important processes(SRC).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN1595 IMDG: UN1595 IATA: UN1595

14.2 UN Proper Shipping Name

ADR/RID: DIMETHYL SULPHATE
IMDG: DIMETHYL SULPHATE
IATA: DIMETHYL SULPHATE

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
dimethyl sulfate dimethyl sulfate 77-78-1 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 12, 2017
Revision Date Aug 12, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
MSDS Expand
1H NMR : parameter in CDCl3Expand

NMR Spectrum 1H NMR : parameter in CDCl3

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C2 H6 O4 S 0.04 ml : 0.5 ml CDCl3
dimethyl sulfate

Parameter ppm Hz
D(A) 3.960

IR : liquid filmExpand
Mass Expand
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