benzyl prop-2-enoate

• ChemBase ID: 108430
• Molecular Formular: C10H10O2
• Molecular Mass: 162.1852
• Monoisotopic Mass: 162.06807956
• SMILES: C=CC(=O)OCc1ccccc1
• Canonical SMILES: C=CC(=O)OCc1ccccc1
• InChI: InChI=1S/C10H10O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7H,1,8H2
• InChIKey: GCTPMLUUWLLESL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl prop-2-enoate
• IUPAC Traditional name: benzyl prop-2-enoate
• Synonyms: Acrylic acid benzyl ester; Benzyl acrylate; benzyl prop-2-enoate; BENZYL ACRYLATE; 丙烯酸苄脂

Database IDs

• CAS Number: 2495-35-4
• EC Number: 219-673-9
• MDL Number: MFCD00048147
• PubChem SID: 162089295
• PubChem CID: 75617

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6366477
• LogD (pH = 7.4): 2.6366477
• Log P: 2.6366477
• Molar Refractivity: 46.6731 cm^3
• Polarizability: 18.212812 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in organic solvents
• Apperance: Liquid
• Boiling Point: 111°C/8mm
• Density: 1.06
• Refractive Index: 1.5180
• Hydrophobicity(logP): 2.565

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: UN3082
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 36/37/38-51/53
• Safety Statements: 26-28-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Hazard statements: H315-H319-H335-H411
• GHS Precautionary statements: P273-P305+P351+P338-P302+P352

Product Information

• Purity: 95%; 97%, stab. with ca 150ppm 4-methoxyphenol

DETAILS

MP Biomedicals - 05207316

MP Biomedicals Rare Chemical collection