2-phenoxyethyl 2-methylprop-2-enoate

• ChemBase ID: 145173
• Molecular Formular: C12H14O3
• Molecular Mass: 206.23776
• Monoisotopic Mass: 206.09429431
• SMILES: CC(=C)C(=O)OCCOc1ccccc1
• Canonical SMILES: O=C(C(=C)C)OCCOc1ccccc1
• InChI: InChI=1S/C12H14O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
• InChIKey: CEXQWAAGPPNOQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxyethyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-phenoxyethyl 2-methylprop-2-enoate
• Synonyms: 2-Phenoxyethyl methacrylate; Ethylene glycol phenyl ether methacrylate; 甲基丙烯酸-2-苯氧乙酯; 乙二醇苯基醚甲基丙烯酸酯

Database IDs

• CAS Number: 10595-06-9
• EC Number: 234-201-1
• MDL Number: MFCD00053685
• PubChem SID: 24869332; 162239383
• PubChem CID: 66357

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9517748
• LogD (pH = 7.4): 2.9517748
• Log P: 2.9517748
• Molar Refractivity: 56.9698 cm^3
• Polarizability: 22.575663 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 183 °C(lit.)
• Flash Point: 100 °C; 212 °F
• Density: 1.08 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.513(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Contains: 200 ppm hydroquinone as inhibitor; 200 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: H2C=C(CH3)CO2CH2CH2OC6H5

DETAILS

Sigma Aldrich - 458791

Packaging
100, 500 mL in poly bottle