benzyl 2-methylprop-2-enoate

• ChemBase ID: 146442
• Molecular Formular: C11H12O2
• Molecular Mass: 176.21178
• Monoisotopic Mass: 176.08372962
• SMILES: CC(=C)C(=O)OCc1ccccc1
• Canonical SMILES: O=C(C(=C)C)OCc1ccccc1
• InChI: InChI=1S/C11H12O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
• InChIKey: AOJOEFVRHOZDFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 2-methylprop-2-enoate
• IUPAC Traditional name: benzyl methacrylate
• Synonyms: Methacrylic acid benzyl ester; Benzyl methacrylate; 甲基丙烯酸苄酯; 甲基丙烯酸苄基酯

Database IDs

• CAS Number: 2495-37-6
• EC Number: 219-674-4
• MDL Number: MFCD00053684
• Beilstein Number: 2045924
• PubChem SID: 24865646; 162240638
• PubChem CID: 17236

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0321982
• LogD (pH = 7.4): 3.0321982
• Log P: 3.0321982
• Molar Refractivity: 51.0302 cm^3
• Polarizability: 20.056835 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 231-233°C; 95-98 °C/4 mmHg(lit.)
• Flash Point: 107 °C; 107°C(225°F); 224.6 °F
• Density: 1.04 g/mL at 25 °C(lit.); 1.040
• Refractive Index: 1.5140; n20/D 1.512(lit.)

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 96%; 98%, stab. with ca 50-100ppm 4-methoxyphenol
• Contains: 50 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: H2C=C(CH3)CO2CH2C6H5

DETAILS

Sigma Aldrich - 409448

Packaging
1 L in poly bottle
250 mL in poly bottle