1-(ethenyloxy)propane

• ChemBase ID: 146013
• Molecular Formular: C5H10O
• Molecular Mass: 86.1323
• Monoisotopic Mass: 86.07316494
• SMILES: CCCOC=C
• Canonical SMILES: CCCOC=C
• InChI: InChI=1S/C5H10O/c1-3-5-6-4-2/h4H,2-3,5H2,1H3
• InChIKey: OVGRCEFMXPHEBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(ethenyloxy)propane
• IUPAC Traditional name: propane, 1-(ethenyloxy)-
• Synonyms: Propyl vinyl ether; 1-(ethenyloxy)propane; 丙基乙烯基醚

Database IDs

• CAS Number: 764-47-6
• EC Number: 212-123-9
• MDL Number: MFCD00080707
• PubChem SID: 24863376; 162240213
• PubChem CID: 69815

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5085542
• LogD (pH = 7.4): 1.5085542
• Log P: 1.5085542
• Molar Refractivity: 25.9773 cm^3
• Polarizability: 10.393685 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C(lit.)
• Flash Point: -14.8 °F; -26 °C
• Auto Ignition Point: 365 °F
• Density: 0.768 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.391(lit.)
• Hydrophobicity(logP): 1.535

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 3271 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 99%
• Contains: 0.1% potassium hydroxide as inhibitor
• Linear Formula: CH3CH2CH2OCH=CH2

DETAILS

Sigma Aldrich - 375241

Packaging
250 mL in glass bottle