4-Ethylcyclohexanone

• CAS: 5441-51-0
• Catalog Number: ACM5441510
• Category: Other Products
• Molecular Weight: 126.2
• Molecular Formula: C8H14O
• IUPAC Name: 4-ethylcyclohexan-1-one
• Canonical SMILES: CCC1CCC(=O)CC1
• InChI: InChI=1S/C8H14O/c1-2-7-3-5-8(9)6-4-7/h7H,2-6H2,1H3
• InChI Key: OKSDJGWHKXFVME-UHFFFAOYSA-N
• Boiling Point: 194 °C
• Density: Air Sensitive
• Appearance: Colorless to Almost colorless clear liquid
• Storage: Store under inert gas
• Complexity: 97.1
• Covalently-Bonded Unit Count: 1
• EC Number: 226-629-2
• Exact Mass: 126.104465g/mol
• Formal Charge: 0
• Hazard Statements: H227 : Combustible liquid.
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 9
• MDL Number: MFCD00001644
• Monoisotopic Mass: 126.104465g/mol
• NSC Number: 21120
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.P280 : Wear protective gloves/ eye protection/ face protection.P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.P403 + P235 : Store in a well-ventilated place. Keep cool.
• Refractive Index: 1.45
• Rotatable Bond Count: 1
• Signal Word: Warning
• Specific Gravity: 0.92
• XLogP3: 1.9