2-Allylphenol

• CAS: 1745-81-9
• Catalog Number: ACM-MO-1745819
• Category: Other Products; Allyl Monomers
• Molecular Weight: 134.18 g/mol
• Molecular Formula: C9H10O
• Description: 2-Allylphenol is an protected intermediate in the synthesis of metabolites of Diclofenac, a nonsteroidal anti-inflammatory compound an decycloxygenase (COX) inhibitor.
• Synonyms: 2-ALLYLPHENOL;ALLYLPHENOL-2;O-ALLYLPHENOL;Phenol, 2-(2-propenyl)-;2-(2-propenyl)-pheno
• IUPAC Name: 2-prop-2-enylphenol
• Canonical SMILES: C=CCC1=CC=CC=C1O
• InChI: InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
• InChI Key: QIRNGVVZBINFMX-UHFFFAOYSA-N
• Boiling Point: 220 °C
• Melting Point: -6ºC
• Flash Point: 88 °C
• Density: 1.02
• Solubility: Soluble in water.Soluble in alcohol, chloroform, ether.
• Appearance: Colorless to Light Yellow to Light Orange Clear Liquid
• Complexity: 109
• Covalently-Bonded Unit Count: 1
• EC Number: 217-119-0
• Exact Mass: 134.073165g/mol
• Formal Charge: 0
• Hazard Codes: Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 10
• HS Code: 29071900
• LogP: 2.12070
• MDL Number: MFCD00002250
• Monoisotopic Mass: 134.073165g/mol
• NSC Number: 1538
• Physical State: Liquid
• PSA: 2.23
• Refractive Index: 1.55
• RIDADR: UN 2923
• Rotatable Bond Count: 2
• Specific Gravity: 1.02
• Stability: Stable under normal temperatures and pressures.
• Storage Conditions: Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
• UNII: O04F145ZJZ
• Vapor Pressure: 0.0783mmHg at 25°C
• WGK Germany: 2
• XLogP3: 2.7