1-(acetyloxy)ethyl acetate

• ChemBase ID: 109196
• Molecular Formular: C6H10O4
• Molecular Mass: 146.1412
• Monoisotopic Mass: 146.0579088
• SMILES: CC(OC(=O)C)OC(=O)C
• Canonical SMILES: CC(OC(=O)C)OC(=O)C
• InChI: InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3
• InChIKey: ACKALUBLCWJVNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(acetyloxy)ethyl acetate
• IUPAC Traditional name: 1,1-ethanediol, diacetate
• Synonyms: ETHYLIDENE DIACETATE

Database IDs

• CAS Number: 542-10-9
• EC Number: 208-800-3
• PubChem SID: 162094987
• PubChem CID: 222536

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.013205566
• LogD (pH = 7.4): 0.013205566
• Log P: 0.013205566
• Molar Refractivity: 32.5084 cm^3
• Polarizability: 13.4318905 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 167°C
• Density: 1.66 g/ml

DETAILS

MP Biomedicals - 05210185

MP Biomedicals Rare Chemical collection