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

• ChemBase ID: 158514
• Molecular Formular: C10H18O5
• Molecular Mass: 218.24692
• Monoisotopic Mass: 218.11542368
• SMILES: C1C(O1)COCCOCCOCC1CO1
• Canonical SMILES: O(CCOCC1OC1)CCOCC1OC1
• InChI: InChI=1S/C10H18O5/c1(3-12-5-9-7-14-9)11-2-4-13-6-10-8-15-10/h9-10H,1-8H2
• InChIKey: SEFYJVFBMNOLBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy}methyl)oxirane
• IUPAC Traditional name: 2-({2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy}methyl)oxirane
• Synonyms: Diglycidyl diglycol; Diethylene glycol diglycidyl ether; 聚乙二醇二缩水甘油醚

Database IDs

• CAS Number: 4206-61-5
• EC Number: 224-122-0
• MDL Number: MFCD00628141
• Beilstein Number: 1308085
• PubChem SID: 24850635; 162252650
• PubChem CID: 351024

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.28686833
• LogD (pH = 7.4): -0.28686833
• Log P: -0.28686833
• Molar Refractivity: 52.5889 cm^3
• Polarizability: 21.257687 Å^3
• Polar Surface Area: 49.45 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 125 °C; 257 °F
• Density: 1.167 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.467

Safety Information

• RTECS: KN2330000
• German water hazard class: 3
• Risk Statements: 19
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ~50% (GC)
• Grade: technical
• Empirical Formula (Hill Notation): C10H18O5