4-Tert-Butylcyclohexanone

• CAS: 98-53-3
• Catalog Number: ACM98533
• Category: Other Products
• Molecular Weight: 154.25
• Molecular Formula: C10H18O
• Synonyms: 4-(1,1-Dimethylethyl)-cyclohexanon
• IUPAC Name: 4-Tert-butylcyclohexan-1-one
• Canonical SMILES: CC(C)(C)C1CCC(=O)CC1
• InChI: InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
• InChI Key: YKFKEYKJGVSEIX-UHFFFAOYSA-N
• Boiling Point: 113-116 °C
• Melting Point: 47-50 °C
• Flash Point: 205 °F
• Density: 0.893 g/mL at 25 °C(lit.)
• Solubility: Soluble in alcohol, ethanol; insoluble in water
• Appearance: White to almost white crystalline powder
• Assay: 0.9999
• EC Number: 202-678-5
• Exact Mass: 154.135765193
• MDL Number: MFCD00001642
• Monoisotopic Mass: 154.135765193
• Packaging: 1 kg
• Physical State: Crystalline powder
• Refractive Index: n20/D 1.457(lit.)
• Storage Conditions: Dry place,Room Temperature
• Topological Polar Surface Area: 17.1 Ų