ethyl 2-hydroxypropanoate

• ChemBase ID: 108916
• Molecular Formular: C5H10O3
• Molecular Mass: 118.1311
• Monoisotopic Mass: 118.06299418
• SMILES: CCOC(=O)C(C)O
• Canonical SMILES: CCOC(=O)C(O)C
• InChI: InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3
• InChIKey: LZCLXQDLBQLTDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-hydroxypropanoate
• IUPAC Traditional name: ethyl lactate
• Synonyms: ETHYL LACTATE; Ethyl lactate; Lactic acid ethyl ester; 2-Hydroxypropanoic acid ethyl ester; Actylol; Acytol

Database IDs

• CAS Number: 97-64-3; 687-47-8
• EC Number: 202-598-0
• PubChem SID: 162096122
• PubChem CID: 7344
• Chemspider ID: 13837423
• Wikipedia Title: Ethyl_lactate

CALCULATED PROPERTIES

• Acid pKa: 12.999511
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.03087248
• LogD (pH = 7.4): 0.030871402
• Log P: 0.030872492
• Molar Refractivity: 28.3575 cm^3
• Polarizability: 11.390625 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible in ethanol; and most alcohols; Miscible in water
• Apperance: Clear to slightly yellow liquid
• Melting Point: -25.0°C; -26°C
• Boiling Point: 151 - 155°C; 154°C
• Flash Point: 46 °C
• Density: 1.03 g/cm^3; 1.302 g/ml
• Optical Rotation: -11.3°

Safety Information

• RTECS: OD5075000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:10-37-41; R10 R37 R41
• Safety Statements: S:24-26-39; S2 S24 S26 S39
• Main Hazard: Irritant (Xi)
• NFPA704:
  

  2

  3

  0

DETAILS

MP Biomedicals - 05209229

MP Biomedicals Rare Chemical collection