1-(2,6,6-Trimethyl-3-Cyclohexen-1-Yl)-1-Butanone
[CAS# 71820-47-8]

Identification

• Name: 1-(2,6,6-Trimethyl-3-Cyclohexen-1-Yl)-1-Butanone
• Synonyms: 1-Butanone, 1-(2,6,6-Trimethyl-3-Cyclohexen-1-Yl)-; Zinc02236808; 1-(2,6,6-Trimethyl-3-Cyclohexen-1-Yl)-1-Butanone
• Molecular Formula: C₁₃H₂₂O
• Molecular Weight: 194.32
• CAS Registry Number: 71820-47-8
• SMILES: [C@H]1(C=CCC([C@@H]1C(=O)CCC)(C)C)C
• InChI: 1S/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h6,8,10,12H,5,7,9H2,1-4H3/t10-,12+/m1/s1
• InChIKey: BBPCJNBZOFHWCU-PWSUYJOCSA-N

Properties

• Density: 0.874g/cm³ (Cal.)
• Boiling point: 254.119°C at 760 mmHg (Cal.)
• Flash point: 97.838°C (Cal.)