ethyl 2-(4-ethoxyphenyl)acetate

• ChemBase ID: 295681
• Molecular Formular: C12H16O3
• Molecular Mass: 208.25364
• Monoisotopic Mass: 208.10994437
• SMILES: CCOc1ccc(cc1)CC(=O)OCC
• Canonical SMILES: CCOC(=O)Cc1ccc(cc1)OCC
• InChI: InChI=1S/C12H16O3/c1-3-14-11-7-5-10(6-8-11)9-12(13)15-4-2/h5-8H,3-4,9H2,1-2H3
• InChIKey: KZWVNVPYBUGYTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-ethoxyphenyl)acetate
• IUPAC Traditional name: ethyl 2-(4-ethoxyphenyl)acetate
• Synonyms: 4-Ethoxyphenylacetic acid ethyl ester; Ethyl 4-ethoxyphenylacetate; 4-乙氧基苯基乙酸乙酯

Database IDs

• CAS Number: 40784-88-1
• EC Number: 000-000-0
• MDL Number: MFCD00051917
• Beilstein Number: 2969074
• PubChem SID: 180681212
• PubChem CID: 181675

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3128328
• LogD (pH = 7.4): 2.3128328
• Log P: 2.3128328
• Molar Refractivity: 58.0951 cm^3
• Polarizability: 22.813835 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 112-113°C/0.5mm
• Refractive Index: 1.5020

Safety Information

• Safety Statements: 24/25
• TSCA Listed: 否

Product Information

• Purity: 97+%