ethyl 2-hydroxy-2,2-diphenylacetate

• ChemBase ID: 107993
• Molecular Formular: C16H16O3
• Molecular Mass: 256.29644
• Monoisotopic Mass: 256.10994437
• SMILES: CCOC(=O)C(O)(c1ccccc1)c1ccccc1
• Canonical SMILES: CCOC(=O)C(c1ccccc1)(c1ccccc1)O
• InChI: InChI=1S/C16H16O3/c1-2-19-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,18H,2H2,1H3
• InChIKey: AIPVNQQMYPWQSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-hydroxy-2,2-diphenylacetate
• IUPAC Traditional name: ethyl 2-hydroxy-2,2-diphenylacetate
• Synonyms: Benzilic acid ethyl ester; Ethyl benzilate; ETHYL BENZILATE; 1,1-二苯基-1-羟基乙酸乙酯

Database IDs

• CAS Number: 52182-15-7
• EC Number: 257-713-7
• MDL Number: MFCD00016850
• Beilstein Number: 991958
• PubChem SID: 162094014
• PubChem CID: 96261

CALCULATED PROPERTIES

• Acid pKa: 11.05081
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.060248
• LogD (pH = 7.4): 3.060152
• Log P: 3.060249
• Molar Refractivity: 72.9998 cm^3
• Polarizability: 28.658611 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 28-31°C
• Boiling Point: 192-194°C/12mm
• Density: 1.14
• Refractive Index: 1.5600

Safety Information

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

Product Information

• Purity: 97+%

DETAILS

MP Biomedicals - 05205698

MP Biomedicals Rare Chemical collection