ethenyl 2-methylprop-2-enoate

• ChemBase ID: 146624
• Molecular Formular: C6H8O2
• Molecular Mass: 112.12652
• Monoisotopic Mass: 112.0524295
• SMILES: CC(=C)C(=O)OC=C
• Canonical SMILES: C=COC(=O)C(=C)C
• InChI: InChI=1S/C6H8O2/c1-4-8-6(7)5(2)3/h4H,1-2H2,3H3
• InChIKey: FFYWKOUKJFCBAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenyl 2-methylprop-2-enoate
• IUPAC Traditional name: ethenyl 2-methylprop-2-enoate
• Synonyms: Vinyl methacrylate; Methacrylic acid vinyl ester; 甲基丙烯酸乙烯酯

Database IDs

• CAS Number: 4245-37-8
• EC Number: 224-205-1
• MDL Number: MFCD00059329
• Beilstein Number: 1743336
• PubChem SID: 162240818; 24867203
• PubChem CID: 77921

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8123996
• LogD (pH = 7.4): 1.8123996
• Log P: 1.8123996
• Molar Refractivity: 30.1098 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: 111-112 °C(lit.); 111-112°C
• Flash Point: 13 °C; 16°C(60°F); 55.4 °F
• Density: 0.933 g/mL at 25 °C(lit.); 0.940
• Refractive Index: 1.4350; n20/D 1.436(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3272; UN3272
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11; 11-36/37/38
• Safety Statements: 16; 16-26-28
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225; H225-H315-H319-H335
• GHS Precautionary statements: P210; P210-P305+P351+P338-P302+P352
• 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 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%; 98%, stab. with 200ppm 4-methoxyphenol
• Contains: 150-300 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: H2C=C(CH3)CO2CH=CH2

DETAILS

Sigma Aldrich - 434620

Packaging
25 mL in glass bottle