(2S)-2-[(2E)-2-Buten-1-yl]-5-isopropyl-2-methylcyclopentanone
[CAS# 836628-77-4]

Identification

• Name: (2S)-2-[(2E)-2-Buten-1-yl]-5-isopropyl-2-methylcyclopentanone
• Synonyms: (2S)-2-((E)-but-2-en-1-yl)-5-isopropyl-2-methylcyclopentanone
• Molecular Formula: C₁₃H₂₂O
• Molecular Weight: 194.31
• CAS Registry Number: 836628-77-4
• SMILES: C/C=C/C[C@@]1(CCC(C1=O)C(C)C)C
• InChI: 1S/C13H22O/c1-5-6-8-13(4)9-7-11(10(2)3)12(13)14/h5-6,10-11H,7-9H2,1-4H3/b6-5+/t11?,13-/m1/s1
• InChIKey: JLQAPIHTUXUZRB-YKVUVKQXSA-N

Properties

• Density: 0.883g/cm³ (Cal.)
• Boiling point: 252.813°C at 760 mmHg (Cal.)
• Flash point: 97.081°C (Cal.)
• Refractive index: 1.461 (Cal.)