FEMA 2859

Base Information

• Chemical Name: FEMA 2859
• CAS No.: 133-18-6
• Molecular Formula: C15H15 N O2
• Molecular Weight: 241.31
• European Community (EC) Number: 205-098-0
• NSC Number: 66441
• UN Number: 3077
• UNII: 8HBK71OD81
• DSSTox Substance ID: DTXSID5025861
• Nikkaji Number: J10.045E
• Wikidata: Q27270507
• Metabolomics Workbench ID: 47886
• ChEMBL ID: CHEMBL1488668
• Mol file: 133-18-6.mol

Synonyms:Anthranilicacid, phenethyl ester (6CI,7CI,8CI); 2-Phenylethyl anthranilate; 2-Phenylethylo-aminobenzoate; Benzylcarbinyl anthranilate; NSC 66441; Phenethylanthranilate; Phenylethyl anthranilate

Chemical Property of FEMA 2859

Chemical Property:

• Vapor Pressure: 1E-06mmHg at 25°C
• Melting Point: 39-44?°C(lit.)
• Refractive Index: 1.5200 (estimate)
• Boiling Point: 403.7°Cat760mmHg
• Flash Point: 236.1°C
• PSA: 52.32000
• Density: 1.166g/cm³
• LogP: 3.24950
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 241.110278721
• Heavy Atom Count: 18
• Complexity: 261
• Transport DOT Label: Class 9

Purity/Quality:

98%min ^*data from raw suppliers

PHENETHYL ANTHRANILATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 36/37/38-50/53
• Safety Statements: 26-37/39-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2N
• Uses: Phenylethyl Anthranilate is a synthetic flavoring agent that is a stable, white to yellow crystal of grape and orange blossom odor. It should be stored in glass or polyethylene-lined containers. It is used for flavors such as grape and cherry in applications such as beverages, ice cream, candy, and baked goods at 2–6 ppm.