dimethyl sulfite

• ChemBase ID: 127082
• Molecular Formular: C2H6O3S
• Molecular Mass: 110.13224
• Monoisotopic Mass: 110.00376505
• SMILES: O=S(OC)OC
• Canonical SMILES: COS(=O)OC
• InChI: InChI=1S/C2H6O3S/c1-4-6(3)5-2/h1-2H3
• InChIKey: BDUPRNVPXOHWIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl sulfite
• IUPAC Traditional name: dimethyl sulfite
• Synonyms: Dimethyl sulphite; Sulfurous acid, dimethyl ester; DMSO₃; Dimethyl sulfite; Methyl sulfite; Dimethyl sulfite; 甲基亚硫酸酯; 亚硫酸二甲酯

Database IDs

• CAS Number: 616-42-2
• EC Number: 210-481-0
• MDL Number: MFCD00008415
• Beilstein Number: 1700256
• PubChem SID: 162221405; 24846815; 24853658
• PubChem CID: 69223
• CHEBI ID: 48858
• Chemspider ID: 62436
• Wikipedia Title: Dimethyl_sulfite

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.059687745
• LogD (pH = 7.4): -0.059687745
• Log P: -0.059687745
• Molar Refractivity: 21.2925 cm^3
• Polarizability: 9.550747 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Clear liquid
• Boiling Point: 126°C; 126-127 °C(lit.)
• Flash Point: 100.4 °F; 38 °C
• Density: 1.29 g/cm^3; 1.294 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.410(lit.)
• Hydrophobicity(logP): 0.352

Safety Information

• RTECS: WT3512000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥99.5%; 95%; 99%
• Linear Formula: (CH3O)2SO

DETAILS

Sigma Aldrich - 227862

Application
Suitable for electrolyte use.
Packaging
View returnable container options.

Sigma Aldrich - 108618

Packaging
100 g in glass bottle