3-Methylcyclohexanone

• CAS: 591-24-2
• Catalog Number: ACM591242
• Category: Other Products
• Molecular Weight: 112.17
• Molecular Formula: C7H12O
• Synonyms: Cyclohexanone, 3-methyl-
• IUPAC Name: (3R)-3-methylcyclohexan-1-one
• Canonical SMILES: CC1CCCC(=O)C1
• InChI Key: UJBOOUHRTQVGRU-ZCFIWIBFSA-N
• Boiling Point: 169-170 °C at 760 mmHg
• Melting Point: -73ºC
• Flash Point: 48ºC
• Density: 0.912g/cm³
• Appearance: CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID
• Complexity: 97
• Defined Atom Stereocenter Count: 0
• EC Number: 209-710-7
• Exact Mass: 112.0888
• Formal Charge: 0
• Hazard Statements: Xn
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 112.0888
• Packing Group: III
• Rotatable Bond Count: 0
• Safety Description: S36/37
• Topological Polar Surface Area: 17.1 Ų
• WGK Germany: 1
• XLogP3-AA: 1.4