3-(ethenyloxy)prop-1-ene

• ChemBase ID: 302329
• Molecular Formular: C5H8O
• Molecular Mass: 84.11642
• Monoisotopic Mass: 84.05751488
• SMILES: C=CCOC=C
• Canonical SMILES: C=COCC=C
• InChI: InChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2
• InChIKey: ZXABMDQSAABDMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(ethenyloxy)prop-1-ene
• IUPAC Traditional name: 1-propene, 3-(ethenyloxy)-
• Synonyms: 3-(Ethenyloxy)propene; Allyl vinyl ether; 烯丙基乙烯酯

Database IDs

• CAS Number: 3917-15-5
• EC Number: 223-482-6
• MDL Number: MFCD00039827
• Beilstein Number: 1697665

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3604736
• LogD (pH = 7.4): 1.3604736
• Log P: 1.3604736
• Molar Refractivity: 25.8674 cm^3
• Polarizability: 10.15764 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65-68°C
• Flash Point: <-5°C(23°F)
• Density: 0.781
• Refractive Index: 1.4120

Safety Information

• RTECS: KM9450000
• European Hazard Symbols: Flammable (F); X
• UN Number: UN3271
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-22-36/37/38
• Safety Statements: 16-23-26-33-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H225-H302-H315-H319-H335
• GHS Precautionary statements: P210-P261-P280H-P243-P305+P351+P338

Product Information

• Purity: 95% stab. with 0.1% potassium hydroxide