(2,3-13C2)oxirane

• ChemBase ID: 138436
• Molecular Formular: C2H4O
• Molecular Mass: 46.03786968
• Monoisotopic Mass: 46.03292442
• SMILES: [13CH2]1[13CH2]O1
• Canonical SMILES: O1[13CH2][13CH2]1
• InChI: InChI=1S/C2H4O/c1-2-3-1/h1-2H2/i1+1,2+1
• InChIKey: IAYPIBMASNFSPL-ZDOIIHCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-^1^3C₂)oxirane
• IUPAC Traditional name: (2,3-^1^3C₂)oxirane
• Synonyms: Ethylene oxide-13C2; 环氧乙烷-13C2

Database IDs

• CAS Number: 84508-46-3
• MDL Number: MFCD00144291
• PubChem SID: 24872764; 162232692
• PubChem CID: 13000640

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.04697551
• LogD (pH = 7.4): -0.04697551
• Log P: -0.04697551
• Molar Refractivity: 11.0435 cm^3
• Polarizability: 4.3929925 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -111 °C(lit.)
• Boiling Point: 10.7 °C(lit.)
• Flash Point: -20 °C; -4 °F
• Density: 0.859 g/mL at 25 °C
• Refractive Index: n20/D 1.3597(lit.)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Highly flammable (F+)
• German water hazard class: 3
• Risk Statements: 12
• Safety Statements: 16
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H319-H331-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338-P311

Product Information

• Isotopic Purity: 99 atom % 13C
• Contains: hydroquinone as stabilizer
• Mol. Weight: mol wt 46.02 by atom % calculation
• Empirical Formula (Hill Notation): 13C2H4O

DETAILS

Sigma Aldrich - 492612

Packaging
500 mg in Sure-Pac™
Sure/Pac™ cylinder with SS 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.
Recommended products
Stainless steel hose adapter Z146838 or stainless steel body mini gas regulator Z513547 is recommended.
Legal Information
Sure/Pac is a trademark of Sigma-Aldrich Co. LLC