Dimethyl sulfate

Modify Date: 2025-08-19 21:36:16

Dimethyl sulfate Structure
Dimethyl sulfate structure
 Common Name Dimethyl sulfate
CAS Number 77-78-1 Molecular Weight 126.132
Density 1.3±0.1 g/cm3 Boiling Point 188.0±0.0 °C at 760 mmHg
Molecular Formula C2H6O4S Melting Point -32ºC
MSDS Chinese USA Flash Point 83.3±0.0 °C
Symbol GHS05 GHS06 GHS08
GHS05, GHS06, GHS08		 Signal Word Danger

 Names

Name dimethyl sulfate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 188.0±0.0 °C at 760 mmHg
Melting Point -32ºC
Molecular Formula C2H6O4S
Molecular Weight 126.132
Flash Point 83.3±0.0 °C
Exact Mass 125.998680
PSA 60.98000
LogP 0.08
Vapour density 4.3 (vs air)
Vapour Pressure 0.8±0.3 mmHg at 25°C
Index of Refraction 1.410
InChIKey VAYGXNSJCAHWJZ-UHFFFAOYSA-N
SMILES COS(=O)(=O)OC
Stability Stable; combustible. Incompatible with strong oxidizing agents, strong bases including ammonia. Moisture-sensitive.
Water Solubility ethanol: 0.26 g/mL, clear, colorless | 2.8 g/100 mL (18 ºC)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WS8225000
CHEMICAL NAME :
Sulfuric acid, dimethyl ester
CAS REGISTRY NUMBER :
77-78-1
BEILSTEIN REFERENCE NO. :
0635994
LAST UPDATED :
199712
DATA ITEMS CITED :
116
MOLECULAR FORMULA :
C2-H6-O4-S
MOLECULAR WEIGHT :
126.14
WISWESSER LINE NOTATION :
1OSWO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Rinsed with water
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Human
DOSE/DURATION :
97 ppm/10M
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
205 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
45 mg/m3/4H
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - cyanosis Blood - hemorrhage
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
140 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
280 mg/m3
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
45 mg/kg
TOXIC EFFECTS :
Behavioral - food intake (animal)
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
53 mg/kg
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity Skin and Appendages - dermatitis, other (after systemic exposure)
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
32 ppm/1H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
17 mg/m3/19W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Blood - lymphoma, including Hodgkin's disease
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20 mg/kg female 15 day(s) after conception
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Reproductive - Tumorigenic effects - transplacental tumorigenesis Brain and Coverings - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
100 mg/kg
SEX/DURATION :
female 15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
Specific locus test
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
DNA damage
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Micronucleus test
TYPE OF TEST :
DNA damage
TYPE OF TEST :
DNA inhibition
TYPE OF TEST :
DNA inhibition
TYPE OF TEST :
Cytogenetic analysis

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - hamster Lung
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 1,175,1980 *** REVIEWS *** ACGIH TLV-Animal carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-TWA 0.52 mg/m3 (0.1 ppm) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 4,271,1974 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 4,271,1974 IARC Cancer Review:Group 2A IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,200,1987 TOXICOLOGY REVIEW 85CVA2 "Oncology 1970, Proceedings of the Tenth International Cancer Congress," Chicago, Year Book Medical Pub., 1971 Volume(issue)/page/year: 5,63,1970 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 1 ppm (5 mg/m3) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,92,1971 OSHA PEL (Gen Indu):8H TWA 1 ppm (5 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 1 ppm (5 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 1 ppm (5 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 1 ppm (5 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 0.1 ppm (0.5 mg/m3);Skin;Carcinogen JAN 1993 OEL-BELGIUM:TWA 0.1 ppm (0.52 mg/m3);Skin;Carcinogen JAN 1993 OEL-DENMARK:TWA 0.01 ppm (0.05 mg/m3);Skin JAN 1993 OEL-FINLAND:STEL 0.01 ppm (0.05 mg/m3);Skin;Carcinogen JAN 1993 OEL-FRANCE:TWA 0.1 ppm (0.5 mg/m3);Carcinogen JAN 1993 OEL-GERMANY;Skin;Carcinogen JAN 1993 OEL-HUNGARY:STEL 0.1 mg/m3;Skin;Carcinogen JAN 1993 OEL-JAPAN:TWA 0.1 ppm (0.52 mg/m3);Skin;Carcinogen JAN 1993 OEL-THE NETHERLANDS:.TWA 1 ppm (0.5 mg/m3);Skin JAN 1993 OEL-RUSSIA:TWA 0.1 ppm;STEL 0.1 mg/m3;Skin JAN 1993 OEL-SWEDEN;Carcinogen JAN 1993 OEL-SWITZERLAND:TWA 0.02 ppm (0.1 mg/m3);Skin;Carcinogen JAN 1993 OEL-TURKEY:TWA 0.1 ppm (0.5 mg/m3);Skin JAN 1993 OEL-UNITED KINGDOM:TWA 0.1 ppm (0.5 mg/m3);STEL 0.1 ppm;Skin JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO DIMETHYL SULFATE-air:8H CA TWA 0.1 ppm (Sk) REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 26880 No. of Facilities: 83 (estimated) No. of Industries: 3 No. of Occupations: 5 No. of Employees: 1249 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 26880 No. of Facilities: 185 (estimated) No. of Industries: 5 No. of Occupations: 23 No. of Employees: 10481 (estimated) No. of Female Employees: 2455 (estimated)

 Safety Information

Symbol GHS05 GHS06 GHS08
GHS05, GHS06, GHS08
Signal Word Danger
Hazard Statements H301-H314-H317-H330-H341-H350
Precautionary Statements P201-P260-P280-P301 + P310 + P330-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P308 + P313-P403 + P233
Personal Protective Equipment Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes T+:Verytoxic;
Risk Phrases R25;R26;R34;R43;R45;R68
Safety Phrases S45-S53
RIDADR UN 1595
WGK Germany 2
RTECS WS8225000
Packaging Group I
Hazard Class 6.1(a)
HS Code 2920909090

 Synthetic Route

 Customs

HS Code 2920909090
Summary 2920909090 esters of other inorganic acids of non-metals (excluding esters of hydrogen halides) and their salts; their halogenated, sulphonated, nitrated or nitrosated derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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 Synonyms

Sulfuric acid, dimethyl ester
dimethylsulfate
Methylsulphate
dimethyl sulafte
Sulfuricacid, dimethyl ester
Dimethyl sulfate
EINECS 201-058-1
MFCD00008416
METHYL SULFATE
Dimethylsulfaat
sulphuric acid dimethyl ester
Dimetilsolfato
Sulfuric acid dimethyl ester
Dimethylsulfat
Methanesulfate
Dimethyl sulphate
Dimethoxysulfone
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