(2H4)oxirane

• ChemBase ID: 138665
• Molecular Formular: C2H4O
• Molecular Mass: 44.05256
• Monoisotopic Mass: 44.02621475
• SMILES: C1CO1
• Canonical SMILES: O1CC1
• InChI: InChI=1S/C2H4O/c1-2-3-1/h1-2H2
• InChIKey: IAYPIBMASNFSPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₄)oxirane
• IUPAC Traditional name: (^2H₄)oxirane
• Synonyms: Ethylene-d4 oxide; 氧化乙烯-d4

Database IDs

• CAS Number: 6552-57-4
• MDL Number: MFCD00144292
• PubChem SID: 162232916; 24869399
• PubChem CID: 138762

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: 12.53 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: 0.896 g/mL at 25 °C
• Vapor Density: 1.52 (vs air)
• Mass Shift: M+4

Safety Information

• European Hazard Symbols: Highly flammable (F+)
• UN Number: 1040
• German water hazard class: 3
• Hazard Class: 2.3
• 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
• RID/ADR: UN 1040 2.3

Product Information

• Isotopic Purity: 98 atom % D
• Contains: hydroquinone as stabilizer
• Mol. Weight: mol wt 48.04 by atom % calculation
• Empirical Formula (Hill Notation): C2D4O

DETAILS

Sigma Aldrich - 457833

Packaging
5 g in steel cylinder
Lecture bottle with SS CGA 110/180 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 control valves Z146951, Z187224 or either of stainless steel regulators Z148504 and Z148512 and a "T"-purge valve Z151661 is recommended.