oxepane

• ChemBase ID: 112580
• Molecular Formular: C6H12O
• Molecular Mass: 100.15888
• Monoisotopic Mass: 100.088815
• SMILES: C1CCCOCC1
• Canonical SMILES: C1CCCCOC1
• InChI: InChI=1S/C6H12O/c1-2-4-6-7-5-3-1/h1-6H2
• InChIKey: UHHKSVZZTYJVEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxepane
• IUPAC Traditional name: oxepane
• Synonyms: HEXAMETHYLENE OXIDE; Oxepane; Hexahydrooxepine; Oxepane; Hexamethylene oxide; 环氧己烷

Database IDs

• CAS Number: 592-90-5
• EC Number: 209-777-2
• MDL Number: MFCD00003266
• Beilstein Number: 102493
• PubChem SID: 162097429
• PubChem CID: 11618
• CHEBI ID: 49106
• Wikipedia Title: Oxepane

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4194843
• LogD (pH = 7.4): 1.4194843
• Log P: 1.4194843
• Molar Refractivity: 29.7555 cm^3
• Polarizability: 11.74312 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 118-120°C
• Flash Point: 10°C(50°F)
• Density: 0.901
• Refractive Index: 1.4390

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: UN3271
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11
• Safety Statements: 9-16-33
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Hazard statements: H225
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05224720

MP Biomedicals Rare Chemical collection