Allyl Phenoxyacetate

• Catalog Number: ACM-MO-7493745
• Product Name: Allyl Phenoxyacetate
• CAS: 7493-74-5
• Category: Heterocyclic Organic Compound
• 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
• Molecular Weight: 192.21 g/mol
• Molecular Formula: C11H12O3
• 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
• SpecificGravity: 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