ethyl methanesulfonate

• ChemBase ID: 104304
• Molecular Formular: C3H8O3S
• Molecular Mass: 124.15882
• Monoisotopic Mass: 124.01941512
• SMILES: CCOS(=O)(=O)C
• Canonical SMILES: CCOS(=O)(=O)C
• InChI: InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3
• InChIKey: PLUBXMRUUVWRLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl methanesulfonate
• IUPAC Traditional name: ethyl methanesulfonate
• Synonyms: Methanesulfonic acid ethyl ester; Ethyl methanesulfonate; ETHYL METHANESULFONATE; Ethyl methanesulfonate; METHANESULFONIC ACID ETHYL ESTER; Ethyl mesylate; Ethyl methanesulphonate; 甲烷磺酸乙酯; 甲磺酸乙酯

Database IDs

• CAS Number: 62-50-0
• EC Number: 200-536-7
• MDL Number: MFCD00007559
• Beilstein Number: 773969
• Merck Index: 143827
• PubChem SID: 162092466; 24896575; 24883229
• PubChem CID: 6113
• CHEMBL: 338686
• Chemspider ID: 5887
• KEGG ID: C19239
• Wikipedia Title: Ethyl_methanesulfonate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.22560489
• LogD (pH = 7.4): -0.22560489
• Log P: -0.22560489
• Molar Refractivity: 25.7624 cm^3
• Polarizability: 11.236088 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Clear colorless liquid; liquid
• Melting Point: < 25 °C
• Boiling Point: 213 - 213.5 deg. C. at 761 mm Hg; 213°C; 213–213.5 °C, 486.2-486.7 K; 85-86 °C/10 mmHg(lit.); 85-86°C/10mm
• Flash Point: 100 °C; 100°C; 100°C(212°F); 212 °F
• Density: 1.1452 g/cm^3 (22 °C); 1.17 g/ml; 1.170; 1.206 g/mL at 20 °C
• Refractive Index: 1.4180; n20/D 1.418(lit.)
• Vapor Pressure: 0.328 mm Hg at 25 °C.

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Moisture Sensitive
• RTECS: PB2100000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3082; UN2810
• German water hazard class: 3
• Hazard Class: 6.1; 9
• Packing Group: II; III
• Australian Hazchem: 2X
• Risk Statements: 46-22-40; 46-22-40-62-63; R:45-36/37/38-58; R:45-58
• Safety Statements: 53-36/37-45; 53-36/37-60; R; S:28-29-36/37/39-45-53-61; S:28-36/37/39-45-53-61
• EU Classification: M6
• EU Hazard Identification Number: 13
• Emergency Response Guidebook(ERG) Number: 171
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• NFPA704:
  

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• GHS Hazard statements: H301-H340-H351-H361; H302-H340-H351; H302-H351
• GHS Precautionary statements: P201-P281-P308 + P313; P281; P281-P301+P310-P321-P308+P313-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (T); 99%
• Grade: certified reference material; TraceCERT®
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3SO3CH2CH3

DETAILS

MP Biomedicals - 02155383

(Ethyl methanesulfonate) Liquid 1 ml = approx. 1.17 g

Sigma Aldrich - M0880

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
DNA ethylating agent mutagenic in plants and animals and carcinogenic in mammals. It has been used as a model alkylating agent in studies of DNA repair processes.
Packaging
1, 5, 10, 25, 100 g in glass bottle

Sigma Aldrich - 72945

General description
Certified content by quantitative NMR incl. uncertainty and expiry are given in the certificate.Download your certificate at: http://www.sigma-aldrich.com.
Legal Information
TraceCERT is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 64292

Other Notes
Mutagen. Mutagenesis of Chinese hamster ovary (CHO) cells1