ethyl 2-ethoxy-2-hydroxyacetate

• ChemBase ID: 168083
• Molecular Formular: C6H12O4
• Molecular Mass: 148.15708
• Monoisotopic Mass: 148.07355886
• SMILES: C(C(=O)OCC)(O)OCC
• Canonical SMILES: CCOC(=O)C(OCC)O
• InChI: InChI=1S/C6H12O4/c1-3-9-5(7)6(8)10-4-2/h5,7H,3-4H2,1-2H3
• InChIKey: PGALUWKYZXVZMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-ethoxy-2-hydroxyacetate
• IUPAC Traditional name: ethyl 2-ethoxy-2-hydroxyacetate
• Synonyms: Ethoxyhydroxy-acetic Acid Ethyl Ester; Ethyl 2-Ethoxyglycolate; Ethyl Ethoxyhydroxyacetate; Ethyl Glyoxylate Hemiacetal; Glyoxylic Acid Ethyl Ester Ethyl Gemiacetal; NSC 25308; Ethyl 2-Ethoxy-2-hydroxyacetateDISCONTINUED

Database IDs

• CAS Number: 49653-17-0
• PubChem SID: 162262215
• PubChem CID: 95630

CALCULATED PROPERTIES

• Acid pKa: 9.93765
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.17328718
• LogD (pH = 7.4): 0.1720468
• Log P: 0.17330302
• Molar Refractivity: 34.5618 cm^3
• Polarizability: 13.964547 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethanol; Methanol
• Apperance: Colourless Oil
• Boiling Point: 100-120°C/Oil Pump