propyl 2-methylprop-2-enoate

• ChemBase ID: 302152
• Molecular Formular: C7H12O2
• Molecular Mass: 128.16898
• Monoisotopic Mass: 128.08372962
• SMILES: CCCOC(=O)C(=C)C
• Canonical SMILES: CCCOC(=O)C(=C)C
• InChI: InChI=1S/C7H12O2/c1-4-5-9-7(8)6(2)3/h2,4-5H2,1,3H3
• InChIKey: NHARPDSAXCBDDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl 2-methylprop-2-enoate
• IUPAC Traditional name: propyl 2-methylprop-2-enoate
• Synonyms: Methacrylic acid n-propyl ester; n-Propyl methacrylate; 甲基丙烯酸正丙酯

Database IDs

• CAS Number: 2210-28-8
• EC Number: 218-639-0
• MDL Number: MFCD00048690
• Beilstein Number: 1744849

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1870556
• LogD (pH = 7.4): 2.1870556
• Log P: 2.1870556
• Molar Refractivity: 35.6902 cm^3
• Polarizability: 14.1462145 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 140-141°C
• Flash Point: 30°C(86°F)
• Density: 0.902
• Refractive Index: 1.4190

Safety Information

• RTECS: OZ5250000
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN3272
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-28
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P305+P351+P338-P302+P352

Product Information

• Purity: 95%, stab. with 200ppm 4-methoxyphenol