Beta-butyrolactone

• CAS: 3068-88-0
• Catalog Number: ACM3068880
• Category: Other Products
• Molecular Weight: 86.09g/mol
• Molecular Formula: C4H6O2
• Description: Beta-butyrolactone is a clear colorless liquid with an acetone-like odor. (NTP, 1992)
• IUPAC Name: 4-methyloxetan-2-one
• Canonical SMILES: CC1CC(=O)O1
• InChI: InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3
• InChI Key: GSCLMSFRWBPUSK-UHFFFAOYSA-N
• Boiling Point: 160 to 163 °F at 29 mm Hg (NTP, 1992)
• Melting Point: -46.3 °F (NTP, 1992)
• Flash Point: 140 °F (NTP, 1992)
• Density: 1.0555 at 68 °F (NTP, 1992)
• Solubility: greater than or equal to 100 mg/mL at 73° F (NTP, 1992)
• Complexity: 77.6
• Covalently-Bonded Unit Count: 1
• EC Number: 221-330-3;253-093-7
• Exact Mass: 86.036779g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 6
• Monoisotopic Mass: 86.036779g/mol
• Rotatable Bond Count: 0
• UN Number: 1993
• Vapor Pressure: 0.5 mm Hg at 108 °F ; 5.5 mm Hg at 124° F; 18.5 mm Hg at 163° F (NTP, 1992)
• XLogP3: 0.3