(2S,3S)-3-Methyl-2-[4-(2-methyl-2-propanyl)phenyl]cyclopentanone
[CAS# 824390-71-8]

Identification

• Name: (2S,3S)-3-Methyl-2-[4-(2-methyl-2-propanyl)phenyl]cyclopentanone
• Synonyms: (2S,3S)-2-(4-(tert-butyl)phenyl)-3-methylcyclopentanone
• Molecular Formula: C₁₆H₂₂O
• Molecular Weight: 230.35
• CAS Registry Number: 824390-71-8
• SMILES: C[C@H]1CCC(=O)[C@@H]1c2ccc(cc2)C(C)(C)C
• InChI: 1S/C16H22O/c1-11-5-10-14(17)15(11)12-6-8-13(9-7-12)16(2,3)4/h6-9,11,15H,5,10H2,1-4H3/t11-,15-/m0/s1
• InChIKey: FAQKEIQXYYJLKA-NHYWBVRUSA-N

Properties

• Density: 0.976g/cm³ (Cal.)
• Boiling point: 337.843°C at 760 mmHg (Cal.)
• Flash point: 142.441°C (Cal.)
• Refractive index: 1.511 (Cal.)