Allyl Phenoxyacetate

• CAS: 7493-74-5
• Catalog Number: ACM-MO-7493745
• Category: Other Products; Allyl Monomers
• Molecular Weight: 192.21 g/mol
• Molecular Formula: C11H12O3
• Description: Allyl Phenoxyacetate is a synthetic flavoring agent that is a stable, colorless to Light yellow liquid of heavy fruit note odor. It should be stored in glass or tin containers. it is used in pineapple, quince, and fruit flavors with applications in candy and beverages at 1-3 ppm.
• Synonyms: Phenoxyacetic Acid Allyl Ester
• IUPAC Name: Prop-2-enyl 2-phenoxyacetate
• Canonical SMILES: C=CCOC(=O)COC1=CC=CC=C1
• InChI: InChI=1S/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2
• InChI Key: VUFZVGQUAVDKMC-UHFFFAOYSA-N
• Boiling Point: 137 °C/1 mmHg
• Flash Point: >230 °F
• Density: 1.102 g/mL at 25 °C(lit.)
• Appearance: Colorless to Almost Colorless Clear Liquid
• Assay: 0.99
• Complexity: 183
• Covalently-Bonded Unit Count: 1
• EC Number: 231-335-2
• Exact Mass: 192.078644241
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Monoisotopic Mass: 192.078644241
• NSC Number: 408892
• Odor: Honey/pineapple odor
• Packaging: 25 kg/DRUMS
• Physical State: Liquid
• Refractive Index: 1.52
• Rotatable Bond Count: 6
• Specific Gravity: 1.11
• Stability: Stable under normal temperatures and pressures.
• Storage Conditions: Inert atmosphere,2-8 °C
• Topological Polar Surface Area: 35.5 Ų
• UNII: Q3P8UAF9WE
• XLogP3: 2.1