(13C)methoxy(13C)methane

• ChemBase ID: 135085
• Molecular Formular: C2H6O
• Molecular Mass: 48.05374968
• Monoisotopic Mass: 48.04857449
• SMILES: [13CH3]O[13CH3]
• Canonical SMILES: [13CH3]O[13CH3]
• InChI: InChI=1S/C2H6O/c1-3-2/h1-2H3/i1+1,2+1
• InChIKey: LCGLNKUTAGEVQW-ZDOIIHCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C)methoxy(^1^3C)methane
• IUPAC Traditional name: (^1^3C)methoxy(^1^3C)methane
• Synonyms: Methyl ether-13C2; Dimethyl ether-13C2; 甲醚-13C2; 二甲醚-13C2

Database IDs

• CAS Number: 149228-22-8
• MDL Number: MFCD00144141
• PubChem SID: 162229360
• PubChem CID: 12258973

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

• Mass Shift: M+2

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 % 13C
• Mol. Weight: mol wt 48.04 by atom % calculation
• Linear Formula: (13CH3)2O

DETAILS

Sigma Aldrich - 617512

Packaging
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.