(2H3)methoxy(2H3)methane

• ChemBase ID: 137062
• Molecular Formular: C2H6O
• Molecular Mass: 46.06844
• Monoisotopic Mass: 46.04186481
• SMILES: COC
• Canonical SMILES: COC
• InChI: InChI=1S/C2H6O/c1-3-2/h1-2H3
• InChIKey: LCGLNKUTAGEVQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃)methoxy(^2H₃)methane
• IUPAC Traditional name: (^2H₃)methoxy(^2H₃)methane
• Synonyms: Methyl ether; Dimethyl ether-d6; 甲醚; 二甲醚-d6

Database IDs

• CAS Number: 17222-37-6
• MDL Number: MFCD00084137
• PubChem SID: 162231327; 24872433
• PubChem CID: 6914126

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.12454943
• LogD (pH = 7.4): 0.12454943
• Log P: 0.12454943
• Molar Refractivity: 13.0125 cm^3
• Polarizability: 5.1077914 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: gas
• Melting Point: -141 °C(lit.)
• Boiling Point: -24.8 °C(lit.)
• Auto Ignition Point: 662 °F
• Vapor Pressure: 7760 mmHg ( 25 °C)
• Vapor Density: 1.62 (vs air)
• Mass Shift: M+6

Safety Information

• European Hazard Symbols: Highly flammable (F+)
• UN Number: 1033
• German water hazard class: 1
• Hazard Class: 2.1
• Risk Statements: 12
• Safety Statements: 9-16-33
• GHS Pictograms: GHS02; GHS04
• GHS Signal Word: Danger
• GHS Hazard statements: H220-H280
• GHS Precautionary statements: P210-P410 + P403
• RID/ADR: UN 1033 2.1

Product Information

• Isotopic Purity: 99 atom % D
• Linear Formula: (CD3)2O

DETAILS

Sigma Aldrich - 488879

Packaging
5 g in Sure-Pac™
Sure/Pac™ cylinder with brass 1/4" male NPT valve
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Legal Information
Sure/Pac is a trademark of Sigma-Aldrich Co. LLC