Isopropyl Phenylacetate

• Catalog Number: ACM4861852
• Product Name: Isopropyl Phenylacetate
• CAS: 4861-85-2
• Category: Heterocyclic Organic Compound
• Synonyms: Benzeneacetic acid 1-methylethyl ester
• IUPAC Name: Propan-2-yl 2-phenylacetate
• Molecular Weight: 178.23
• Molecular Formula: C11H14O2
• Canonical SMILES: CC(C)OC(=O)CC1=CC=CC=C1
• InChI: InChI=1S/C11H14O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
• InChI Key: SSMBXPJYHMZLOJ-UHFFFAOYSA-N
• Boiling Point: 157-165 °C
• Melting Point: 25-27 °C
• Flash Point: 225 °F
• Density: 1.001 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; soluble in oils
• Appearance: Colourless to pale yellow liquid
• Assay: 0.98
• EC Number: 225-468-5
• Exact Mass: 178.099379685
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• MDL Number: MFCD00051546
• Monoisotopic Mass: 178.099379685
• Packaging: 1 kg
• Physical State: Liquid
• Refractive Index: n20/D 1.488(lit.)
• Safety Description: S24/25
• Stability: Stable. Incompatible with strong oxidizing agents. Combustible.
• Topological Polar Surface Area: 26.3 Ų