5-Octanolide

• CAS: 698-76-0
• Catalog Number: ACM698760
• Category: Other Products
• Molecular Weight: 142.2g/mol
• Molecular Formula: C8H14O2
• Description: colourless to pale yellow liquid with a coconut-like odour
• IUPAC Name: 6-propyloxan-2-one
• Canonical SMILES: CCCC1CCCC(=O)O1
• InChI: InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3
• InChI Key: FYTRVXSHONWYNE-UHFFFAOYSA-N
• Density: 0.994-0.999
• Complexity: 120
• Covalently-Bonded Unit Count: 1
• EC Number: 211-820-5
• Exact Mass: 142.09938g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 10
• Monoisotopic Mass: 142.09938g/mol
• Refractive Index: 1.452-1.458
• Rotatable Bond Count: 2
• XLogP3: 1.9