2-{[2-(oxiran-2-ylmethoxy)ethoxy]methyl}oxirane

• ChemBase ID: 120513
• Molecular Formular: C8H14O4
• Molecular Mass: 174.19436
• Monoisotopic Mass: 174.08920893
• SMILES: O1C(C1)COCCOCC1OC1
• Canonical SMILES: O(CC1OC1)CCOCC1OC1
• InChI: InChI=1S/C8H14O4/c1(9-3-7-5-11-7)2-10-4-8-6-12-8/h7-8H,1-6H2
• InChIKey: AOBIOSPNXBMOAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(oxiran-2-ylmethoxy)ethoxy]methyl}oxirane
• IUPAC Traditional name: 2-{[2-(oxiran-2-ylmethoxy)ethoxy]methyl}oxirane
• Synonyms: 1,2-bis(oxiran-2-ylmethoxy)ethane; Ethylene glycol diglycidyl ether

Database IDs

• CAS Number: 2224-15-9
• MDL Number: MFCD00005142
• Beilstein Number: 110424
• PubChem SID: 162214866
• PubChem CID: 16683

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.23989284
• LogD (pH = 7.4): -0.23989284
• Log P: -0.23989284
• Molar Refractivity: 41.5454 cm^3
• Polarizability: 16.865042 Å^3
• Polar Surface Area: 40.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 112°C
• Flash Point: 110°C(230°F)
• Density: 1.118

Safety Information

• RTECS: KH5780000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 23-26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H303
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P312

Product Information

• Purity: 98%