1-[(1R,3S)-3-Isopropyl-1-methylcyclopentyl]-2-methyl-2-propen-1-one
[CAS# 791620-51-4]

Identification

• Name: 1-[(1R,3S)-3-Isopropyl-1-methylcyclopentyl]-2-methyl-2-propen-1-one
• Synonyms: 1-((1R,3S)-3-isopropyl-1-methylcyclopentyl)-2-methylprop-2-en-1-one
• Molecular Formula: C₁₃H₂₂O
• Molecular Weight: 194.31
• CAS Registry Number: 791620-51-4
• SMILES: CC(C)[C@H]1CC[C@@](C1)(C)C(=O)C(=C)C
• InChI: 1S/C13H22O/c1-9(2)11-6-7-13(5,8-11)12(14)10(3)4/h9,11H,3,6-8H2,1-2,4-5H3/t11-,13+/m0/s1
• InChIKey: AOEAKJIRXTYUSF-WCQYABFASA-N

Properties

• Density: 0.89g/cm³ (Cal.)
• Boiling point: 261.637°C at 760 mmHg (Cal.)
• Flash point: 102.18°C (Cal.)
• Refractive index: 1.458 (Cal.)