ethenyl butanoate

• ChemBase ID: 152611
• Molecular Formular: C6H10O2
• Molecular Mass: 114.1424
• Monoisotopic Mass: 114.06807956
• SMILES: CCCC(=O)OC=C
• Canonical SMILES: CCCC(=O)OC=C
• InChI: InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3
• InChIKey: MEGHWIAOTJPCHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenyl butanoate
• IUPAC Traditional name: vinyl butyrate
• Synonyms: Vinyl butyrate; 正丁酸乙烯酯

Database IDs

• CAS Number: 123-20-6
• EC Number: 204-609-4
• MDL Number: MFCD00059410
• Beilstein Number: 1744933
• PubChem SID: 162246756; 24851620
• PubChem CID: 31247

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5723273
• LogD (pH = 7.4): 1.5723273
• Log P: 1.5723273
• Molar Refractivity: 30.3329 cm^3
• Polarizability: 12.307829 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 20 °C; 68 °F
• Density: 0.899 g/mL at 20 °C
• Refractive Index: n20/D 1.410

Safety Information

• RTECS: ET7000000
• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 2838
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20
• Safety Statements: 16-24/25
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H332
• 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 2838 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0% (GC)
• Contains: 20 ppm hydroquinone as stabilizer
• Linear Formula: CH3CH2CH2COOCH=CH2

DETAILS

Sigma Aldrich - 19390

Packaging
5, 25 mL in glass bottle