1-[(1R,3S)-3-Isopropenyl-1-methylcyclopentyl]-1-butanone
[CAS# 791620-48-9]

Identification

• Name: 1-[(1R,3S)-3-Isopropenyl-1-methylcyclopentyl]-1-butanone
• Synonyms: 1-((1R,3S)-1-methyl-3-(prop-1-en-2-yl)cyclopentyl)butan-1-one
• Molecular Formula: C₁₃H₂₂O
• Molecular Weight: 194.31
• CAS Registry Number: 791620-48-9
• SMILES: CCCC(=O)[C@@]1(CC[C@@H](C1)C(=C)C)C
• InChI: 1S/C13H22O/c1-5-6-12(14)13(4)8-7-11(9-13)10(2)3/h11H,2,5-9H2,1,3-4H3/t11-,13+/m0/s1
• InChIKey: HKWCBISKUHRLAA-WCQYABFASA-N

Properties

• Density: 0.896g/cm³ (Cal.)
• Boiling point: 257.957°C at 760 mmHg (Cal.)
• Flash point: 100.058°C (Cal.)
• Refractive index: 1.461 (Cal.)