Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Dimethyl sulfate
RN: 77-78-1
UNII: JW5CW40Z50
InChIKey: VAYGXNSJCAHWJZ-UHFFFAOYSA-N

Molecular Formula

  • C2-H6-O4-S

Molecular Weight

  • 126.1314
 

Classification Codes

Classification Codes

  • Alkylating Agents
  • Human Data
  • Immunologic Factors
  • Immunosuppressive Agents
  • Mutagens
  • Mutation Data
  • Noxae
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2A
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 100 lb
  • Threshold Planning Quantity (TPQ) = 500 lb
  • TWA (0.1 ppm); skin; Confirmed animal carcinogen with unknown relevance to humans
  • TWA 1 ppm (5 mg/m3); skin

Names and Synonyms

Name of Substance

  • Dimethyl sulfate

Synonyms

  • 4-01-00-01251 (Beilstein Handbook Reference)
  • AI3-52118
  • BRN 0635994
  • CCRIS 265
  • Dimethyl monosulfate
  • Dimethyl sulfate
  • Dimethyl sulphate
  • Dimethylester kyseliny sirove
  • Dimethylester kyseliny sirove [Czech]
  • Dimethylsulfaat
  • Dimethylsulfaat [Dutch]
  • Dimethylsulfat
  • Dimethylsulfat [Czech]
  • Dimetilsolfato
  • Dimetilsolfato [Italian]
  • DMS (methyl sulfate)
  • Dwumetylowy siarczan
  • Dwumetylowy siarczan [Polish]
  • EC 201-058-1
  • EINECS 201-058-1
  • HSDB 932
  • Methyl sulfate
  • Methyl sulfate (VAN)
  • Methyle (sulfate de)
  • Methyle (sulfate de) [French]
  • NSC 56194
  • RCRA waste number U103
  • Sulfate de dimethyle
  • Sulfate de dimethyle [French]
  • Sulfate dimethylique
  • Sulfate dimethylique [French]
  • Sulfato de dimetilo
  • Sulfato de dimetilo [Spanish]
  • UNII-JW5CW40Z50

Systematic Names

  • Dimethyl sulfate
  • Dimethyl sulphate
  • Sulfuric acid, dimethyl ester

Superlist Names

  • Dimethyl sulfate
  • Dimethyl sulfate [UN1595] [Poison]
  • RCRA waste no. U103
  • Sulfuric acid, dimethyl ester
  • UN1595

Registry Numbers

CAS Registry Number

  • 77-78-1

FDA UNII

  • JW5CW40Z50

Other Registry Numbers

  • 139443-72-4
  • 62086-97-9
  • 98478-67-2

System Generated Number

  • 0000077781

Structure Descriptors

InChI

1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3

InChIKey

VAYGXNSJCAHWJZ-UHFFFAOYSA-N

Smiles

S(OC)(OC)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LC50 inhalation 32ppm/1H (32ppm)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1079, 1986.
human LCLo inhalation 97ppm/10M (97ppm)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 226, 1969.
mouse LC50 inhalation 280mg/m3 (280mg/m3) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 23(3), Pg. 28, 1979.
mouse LD50 oral 140mg/kg (140mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 23(3), Pg. 28, 1979.
rabbit LDLo intravenous 50mg/kg (50mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 47, Pg. 113, 1902.
rabbit LDLo oral 45mg/kg (45mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL) Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 47, Pg. 113, 1902.
rabbit LDLo subcutaneous 53mg/kg (53mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 47, Pg. 113, 1902.
rat LC50 inhalation 45mg/m3/4H (45mg/m3) BLOOD: HEMORRHAGE

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(11), Pg. 55, 1980.
rat LD50 oral 205mg/kg (205mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 23(3), Pg. 28, 1979.
rat LD50 subcutaneous 100mg/kg (100mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 74, Pg. 241, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.70E+01 deg C   EXP
Boiling Point 188 dec deg C   EXP
log P (octanol-water) 0.160 (none)   EST
Water Solubility 2.80E+04 mg/L 18 EXP
Vapor Pressure 0.677 mm Hg 25 EXP
Henry's Law Constant 4.00E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.00E-13 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.