2-phenoxyethyl acetate

• ChemBase ID: 287048
• Molecular Formular: C10H12O3
• Molecular Mass: 180.20048
• Monoisotopic Mass: 180.07864424
• SMILES: CC(=O)OCCOc1ccccc1
• Canonical SMILES: CC(=O)OCCOc1ccccc1
• InChI: InChI=1S/C10H12O3/c1-9(11)12-7-8-13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
• InChIKey: WHFKYDMBUMLWDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxyethyl acetate
• IUPAC Traditional name: ethanol, 2-phenoxy-, acetate
• Synonyms: 2-Phenoxyethyl acetate

Database IDs

• CAS Number: 6192-44-5
• MDL Number: MFCD00059336
• PubChem SID: 180672579
• PubChem CID: 22568

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5665979
• LogD (pH = 7.4): 1.5665979
• Log P: 1.5665979
• Molar Refractivity: 47.965 cm^3
• Polarizability: 19.139624 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%