methyl methanesulfonate

• ChemBase ID: 104305
• Molecular Formular: C2H6O3S
• Molecular Mass: 110.13224
• Monoisotopic Mass: 110.00376505
• SMILES: COS(=O)(=O)C
• Canonical SMILES: COS(=O)(=O)C
• InChI: InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3
• InChIKey: MBABOKRGFJTBAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl methanesulfonate
• IUPAC Traditional name: methyl methanesulfonate; MMS
• Synonyms: Methanesulfonic acid methyl ester; MMS; Methyl methanesulfonate; Methyl Mesylate; as-Dimethyl Sulphate; Methyl Methanesulfonate; Methyl Methanesulphonate; METHANESULFONIC ACID METHYL ESTER; METHYL METHANESULFONATE; 甲磺酸甲酯; 甲基磺酸甲酯

Database IDs

• CAS Number: 66-27-3
• EC Number: 200-625-0
• MDL Number: MFCD00007557
• Beilstein Number: 1098586
• PubChem SID: 24896897; 24847934; 24883233; 162091439
• PubChem CID: 4156
• KEGG ID: C19181
• Wikipedia Title: Methyl_methanesulfonate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.58241284
• LogD (pH = 7.4): -0.58241284
• Log P: -0.58241284
• Molar Refractivity: 21.0138 cm^3
• Polarizability: 9.431009 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 202-203 °C(lit.); 203 deg. C. at 753 mm Hg
• Flash Point: 104 °C; 104.4°C; 219.2 °F
• Density: 1.3 g/ml; 1.3 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.414; n20/D 1.414(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: PB2625000
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 45-22-36/37/38; R:22-45
• Safety Statements: 53-26-45; S:36/37/39-53
• EU Classification: T1
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 153
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335-H350
• GHS Precautionary statements: P201-P261-P301 + P310-P305 + P351 + P338-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ~99% (GC); ≥98.0% (GC); 95+%; 99%
• Grade: certified reference material; purum; TraceCERT®
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3SO3CH3

DETAILS

MP Biomedicals - 02155384

Purity: 99% 1 ml = approx. 1.3 g

MP Biomedicals - 05205518

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M4016

Principle
DNA 加合物；优先地将甲基加合到 DNA 的 7-鸟嘌呤，也可加合到 3-腺嘌呤和 3-鸟嘌呤。

Sigma Aldrich - 129925

Packaging
5, 25, 100 g in glass bottle
Principle
DNA adduct; adds methyl groups to DNA at 7-guanine preferentially, but also 3-adenine and 3-guanine.

Sigma Aldrich - 64294

Principle
DNA adduct; adds methyl groups to DNA at 7-guanine preferentially, but also 3-adenine and 3-guanine.

Sigma Aldrich - 78697

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.
Principle
DNA adduct; adds methyl groups to DNA at 7-guanine preferentially, but also 3-adenine and 3-guanine.
Legal Information
TraceCERT is a registered trademark of Sigma-Aldrich Co. LLC