phenyl 2-methylprop-2-enoate

• ChemBase ID: 145276
• Molecular Formular: C10H10O2
• Molecular Mass: 162.1852
• Monoisotopic Mass: 162.06807956
• SMILES: CC(=C)C(=O)Oc1ccccc1
• Canonical SMILES: O=C(C(=C)C)Oc1ccccc1
• InChI: InChI=1S/C10H10O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h3-7H,1H2,2H3
• InChIKey: QIWKUEJZZCOPFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl 2-methylprop-2-enoate
• IUPAC Traditional name: phenyl 2-methylprop-2-enoate
• Synonyms: Phenyl methacrylate; Methacrylic acid phenyl ester; 甲基丙烯酸苯酯

Database IDs

• CAS Number: 2177-70-0
• EC Number: 218-542-3
• MDL Number: MFCD00048117
• Beilstein Number: 1907503
• PubChem SID: 162239484; 24864429
• PubChem CID: 75121

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9656837
• LogD (pH = 7.4): 2.9656837
• Log P: 2.9656837
• Molar Refractivity: 46.1952 cm^3
• Polarizability: 18.196007 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 115-116°C/10mm; 95-100 °C/16 mmHg(lit.)
• Flash Point: 140 °F; 60 °C; 60°C(140°F)
• Density: 1.052; 1.052 g/mL at 25 °C(lit.)
• Refractive Index: 1.5150; n20/D 1.512(lit.)

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 3272; UN3272
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 36/37/38-42/43
• Safety Statements: 23-24-26-37-45-60; 23-26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H334-H315-H319-H317-H226-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-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: 90%; 95%, stab.
• Impurities: 3% acryloyl chloride; 3% phenol
• Linear Formula: H2C=C(CH3)CO2C6H5

DETAILS

Sigma Aldrich - 392162

Packaging
15 mL in glass bottle