oxirane

• ChemBase ID: 108827
• 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: oxirane
• IUPAC Traditional name: ethylene oxide
• Synonyms: ETHYLENE OXIDE; epoxyethane; ethylene oxide; dimethylene oxide; oxacyclopropane; Ethylene oxide solution; Oxirane; Ethylene oxide; 环氧乙烷 溶液; 氧化乙烯; 环氧乙烷

Database IDs

• CAS Number: 75-21-8
• EC Number: 200-849-9
• MDL Number: MFCD00014482
• Beilstein Number: 102378
• PubChem SID: 162095616; 24864134
• PubChem CID: 6354
• CHEBI ID: 27561
• Chemspider ID: 6114
• KEGG ID: D03474
• MeSH Name: Ethylene+Oxide
• Unique Ingredient Identifier: JJH7GNN18P
• Wikipedia Title: Ethylene_oxide

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

• Solubility: miscible in water
• Apperance: colorless gas
• Melting Point: -111 °C(lit.); -111.3 °C
• Boiling Point: 10.7 °C(lit.); 10.7 °C
• Flash Point: 1.4 °F; 10 °C; 100 °C; -17 °C; -20 °C; -20 °C; 212 °F; -4 °F; 50 °F
• Density: 0.882 g/mL at 25 °C(lit.); 0.882 g/mL, 7.360 lbs/gallon
• Refractive Index: n20/D 1.3597(lit.)
• Std enthalpy of formation: -52.6 kJ mol^-1
• Std molar entropy: 243 J mol^-1 K^-1

Safety Information

• RTECS: KX2450000
• European Hazard Symbols: Flammable (F); Highly flammable (F+); Toxic (T)
• UN Number: 1040; 1230; 1593
• German water hazard class: 2
• Hazard Class: 2.3; 3; 6.1
• Packing Group: 2; 3
• Risk Statements: 45-46; 45-46-11-19-20-36/37; 45-46-11-23/24/25-39/23/24/25; 45-46-20; 45-46-6-12-23-36/37/38
• Safety Statements: 53-16-26-45; 53-16-36/37-45; 53-45; R
• GHS Pictograms: GHS02; GHS04; GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• Main Hazard: carcinogen
• NFPA704:
  

  4

  3

  3
• Explode Limits: 3 to 100%
• GHS Hazard statements: H220-H280-H315-H319-H331-H335-H340-H350; H225-H301-H311-H331-H340-H350-H370; H225-H315-H319-H335-H340-H350; H340-H350
• GHS Precautionary statements: P201-P210-P260-P280-P301 + P310-P311; P201-P210-P261-P305 + P351 + P338-P308 + P313; P201-P210-P261-P305 + P351 + P338-P311-P410 + P403; P201-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1040 2.3; UN 1230 3/PG 2; UN 1593 6.1/PG 3
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.5%; ≥99.8%
• Concentration: 2.5-3.3 M in THF; 2000 μg/mL in methylene chloride; 50 mg/mL in methanol; 50 mg/mL in methylene chloride
• Grade: analytical standard; purum
• Packaging: ampule of 1 mL
• Shelf Life: (limited shelf life)
• Feature: standard type calibration
• Empirical Formula (Hill Notation): C2H4O

DETAILS

Sigma Aldrich - 387614

Application
Useful monomer for the synthesis of poly(ethylene oxides) and glycols
Packaging
227 g in steel cylinder
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.

Sigma Aldrich - 03902

Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~1.5 kg

Sigma Aldrich - 03904

Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~9 kg

Sigma Aldrich - 03906

Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~20 kg