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Substance Name: Diethylsulfate
RN: 64-67-5
UNII: K0FO4VFA7I
InChIKey: DENRZWYUOJLTMF-UHFFFAOYSA-N

Molecular Formula

  • C4-H10-O4-S

Molecular Weight

  • 154.185
 

Classification Codes

Classification Codes

  • Alkylating 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) = 10 lb

Names and Synonyms

Name of Substance

  • Diethyl sulfate
  • Diethylsulfate

Synonyms

  • AI3-15355
  • CCRIS 242
  • DES (VAN)
  • Diaethylsulfat
  • Diaethylsulfat [German]
  • Diethyl sulfate
  • Diethyl sulphate
  • Diethyl tetraoxosulfate
  • Diethylester kyseliny sirove
  • Diethylester kyseliny sirove [Czech]
  • EC 200-589-6
  • EINECS 200-589-6
  • Ethyl sulfate
  • HSDB 1636
  • NSC 56380
  • UNII-K0FO4VFA7I

Systematic Names

  • Diethyl sulfate
  • Diethyl sulphate
  • Sulfuric acid, diethyl ester

Superlist Names

  • Diethyl sulfate
  • Diethyl sulfate [UN1594] [Poison]
  • Sulfuric acid, diethyl ester
  • UN1594

Registry Numbers

CAS Registry Number

  • 64-67-5

FDA UNII

  • K0FO4VFA7I

Other Registry Numbers

  • 182115-04-4
  • 98503-29-8

System Generated Number

  • 0000064675

Structure Descriptors

InChI

1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3

InChIKey

DENRZWYUOJLTMF-UHFFFAOYSA-N

Smiles

S(OCC)(OCC)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 647mg/kg (647mg/kg)   National Technical Information Service. Vol. PB214-270,
rabbit LD50 skin 600uL/kg (0.6mL/kg)   Union Carbide Data Sheet. Vol. 12/30/1971,
rat LCLo inhalation 250ppm/4H (250ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.
rat LD50 oral 880mg/kg (880mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
rat LD50 subcutaneous 350mg/kg (350mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 74, Pg. 241, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.40E+01 deg C   EXP
Boiling Point 208 deg C   EXP
log P (octanol-water) 1.14 (none)   EXP
Water Solubility 7000 mg/L 20 EXP
Vapor Pressure 0.212 mm Hg 25 EXP
Henry's Law Constant 6.14E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.80E-12 cm3/molecule-sec 25 EXP

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