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Substance Name: Ethyl methanesulfonate
RN: 62-50-0
UNII: 9H154DI0UP
InChIKey: PLUBXMRUUVWRLT-UHFFFAOYSA-N

Note

  • An antineoplastic agent with alkylating properties. It also acts as a mutagen by damaging DNA and is used experimentally for that effect.

Molecular Formula

  • C3-H8-O3-S

Molecular Weight

  • 124.1592
 

Classification Codes

Classification Codes

  • Alkylating Agents
  • Antineoplastic Agents
  • Antineoplastic Agents, Alkylating
  • Drug / Therapeutic Agent
  • Mutagens
  • Mutation Data
  • Noxae
  • Reproductive Effect
  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 1 lb
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Names and Synonyms

Name of Substance

  • Ethyl methanesulfonate

MeSH Heading

  • Ethyl methanesulfonate

Synonyms

  • 4-04-00-00012 (Beilstein Handbook Reference)
  • AI3-26396
  • BRN 0773969
  • CB 1528
  • CCRIS 299
  • EINECS 200-536-7
  • EMS
  • ENT 26396
  • Ethyl ester of methanesulfonic acid
  • Ethyl ester of methanesulphonic acid
  • Ethyl ester of methylsulfonic acid
  • Ethyl ester of methylsulphonic acid
  • Ethyl mesylate
  • Ethyl methanesulfonate
  • Ethyl methanesulphonate
  • Ethyl methansulphonate
  • Ethylester kyseliny methansulfonove
  • Ethylester kyseliny methansulfonove [Czech]
  • Half-myleran
  • HSDB 4007
  • Methanesulphonic acid ethyl ester
  • Methylsulfonic acid, ethyl ester
  • NSC 26805
  • RCRA waste number U119
  • UNII-9H154DI0UP

Systematic Names

  • Ethyl methanesulfonate
  • Ethyl methanesulphonate
  • Methanesulfonic acid, ethyl ester

Superlist Names

  • Ethyl methanesulfonate
  • Ethyl methanesulphonate
  • Methanesulfonic acid, ethyl ester
  • RCRA waste no. U119

Registry Numbers

CAS Registry Number

  • 62-50-0

FDA UNII

  • 9H154DI0UP

Other Registry Number

  • 101946-08-1

System Generated Number

  • 0000062500

Structure Descriptors

InChI

1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3

InChIKey

PLUBXMRUUVWRLT-UHFFFAOYSA-N

Smiles

O(S(=O)(=O)C)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 435mg/kg (435mg/kg)   Chemico-Biological Interactions. Vol. 3, Pg. 117, 1971.
mouse LD50 oral 470mg/kg (470mg/kg)   Mutation Research. Vol. 223, Pg. 373, 1989.
rat LD50 intraperitoneal 350mg/kg (350mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 8, Pg. 807, 1960.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 213.25 deg C   EXP
log P (octanol-water) -0.170 (none)   EST
Water Solubility 1.35E+05 mg/L 25 EST
Vapor Pressure 0.206 mm Hg 25 EXP
Henry's Law Constant 2.59E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.57E-13 cm3/molecule-sec 25 EST

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