ethenyl but-2-enoate

• ChemBase ID: 110673
• Molecular Formular: C6H8O2
• Molecular Mass: 112.12652
• Monoisotopic Mass: 112.0524295
• SMILES: C/C=C/C(=O)OC=C
• Canonical SMILES: C=COC(=O)/C=C/C
• InChI: InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h3-5H,2H2,1H3
• InChIKey: IYNRVIKPUTZSOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenyl but-2-enoate
• IUPAC Traditional name: ethenyl but-2-enoate
• Synonyms: VINYL CROTONATE; Vinyl crotonate; 巴豆酸乙烯酯

Database IDs

• CAS Number: 14861-06-4
• EC Number: 238-930-6
• MDL Number: MFCD00009288
• PubChem SID: 24854097; 162095905
• PubChem CID: 5365800

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8034841
• LogD (pH = 7.4): 1.8034841
• Log P: 1.8034841
• Molar Refractivity: 31.4262 cm^3
• Polarizability: 12.063753 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 133-134 °C(lit.)
• Flash Point: 27 °C; 80.6 °F
• Density: 0.94 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.448(lit.)

Safety Information

• RTECS: GQ5850000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3272
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-27-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3272 3/PG 3

Product Information

• Purity: 98%
• Contains: 100 ppm hydroquinone as stabilizer
• Linear Formula: CH3CH=CHCO2CH=CH2

DETAILS

MP Biomedicals - 05215899

MP Biomedicals Rare Chemical collection