(2E)-1-[(1R,3S)-3-Isopropyl-1-methylcyclopentyl]-2-buten-1-one
[CAS# 791620-49-0]

Identification

• Name: (2E)-1-[(1R,3S)-3-Isopropyl-1-methylcyclopentyl]-2-buten-1-one
• Synonyms: (E)-1-((1R,3S)-3-isopropyl-1-methylcyclopentyl)but-2-en-1-one
• Molecular Formula: C₁₃H₂₂O
• Molecular Weight: 194.31
• CAS Registry Number: 791620-49-0
• SMILES: C/C=C/C(=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/h5-6,10-11H,7-9H2,1-4H3/b6-5+/t11-,13+/m0/s1
• InChIKey: ZECUKDCVDVHCMK-LRLQIDNFSA-N

Properties

• Density: 0.895g/cm³ (Cal.)
• Boiling point: 264.639°C at 760 mmHg (Cal.)
• Flash point: 103.904°C (Cal.)
• Refractive index: 1.465 (Cal.)