2-ethoxyoxolane

• ChemBase ID: 149309
• Molecular Formular: C6H12O2
• Molecular Mass: 116.15828
• Monoisotopic Mass: 116.08372962
• SMILES: CCOC1CCCO1
• Canonical SMILES: CCOC1CCCO1
• InChI: InChI=1S/C6H12O2/c1-2-7-6-4-3-5-8-6/h6H,2-5H2,1H3
• InChIKey: JQYYUWHWGCJWTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxyoxolane
• IUPAC Traditional name: 2-ethoxyoxolane
• Synonyms: 2-Ethoxytetrahydrofuran; 2-乙氧基四氢呋喃

Database IDs

• CAS Number: 13436-46-9
• EC Number: 236-569-9
• MDL Number: MFCD00005360
• PubChem SID: 162243477; 24852603
• PubChem CID: 43389

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.93735594
• LogD (pH = 7.4): 0.93735594
• Log P: 0.93735594
• Molar Refractivity: 31.1936 cm^3
• Polarizability: 12.446784 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 170-172 °C(lit.)
• Flash Point: 16 °C; 60.8 °F
• Density: 0.908 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.414(lit.)

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 16-29-33
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C6H12O2

DETAILS

Sigma Aldrich - 209929

Packaging
10 g in glass bottle