2-Octanone

• CAS: 111-13-7
• Catalog Number: ACM111137
• Category: Other Products
• Molecular Weight: 128.21
• Molecular Formula: C8H16O
• Synonyms: Methvlhexanone
• IUPAC Name: 2-Methylphenol
• Canonical SMILES: CCCCCCC(=O)C
• InChI: InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
• InChI Key: QWVGKYWNOKOFNN-UHFFFAOYSA-N
• Boiling Point: 173 °C(lit.)
• Melting Point: -16 °C
• Flash Point: 133 °F
• Density: 0.819 g/mL at 25 °C(lit.)
• Solubility: Soluble in water
• Appearance: Liquid
• Storage: Sealed in dry, 2-8 °C
• Assay: 0.98
• Complexity: 70.8
• Defined Atom Stereocenter Count: 0
• EC Number: 203-837-1
• Exact Mass: 108.057514874
• Formal Charge: 0
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• MDL Number: MFCD00009540
• Monoisotopic Mass: 108.057514874
• Packaging: 100 mL
• Physical State: Liquid
• Refractive Index: n20/D 1.416(lit.)
• Rotatable Bond Count: 5
• Stability: Stable. Incompatible with strong oxidizing agents. Flammable.
• Storage Conditions: Dry place,2-8 °C
• Topological Polar Surface Area: 20.2 Ų
• XLogP3-AA: 2.4