Rel-(3R*,4S*)-4-Acetyl-3,5,5-Trimethylcyclohexene
[CAS# 41435-93-2]

Identification

• Name: Rel-(3R*,4S*)-4-Acetyl-3,5,5-Trimethylcyclohexene
• Synonyms: Ethanone, (2,6,6-Trimethyl-3-Cyclohexen-1-Yl)-, Trans-; Ethanone, 1-((1R,2S)-2,6,6-Trimethyl-3-Cyclohexen-1-Yl)-, Rel-; Ethanone, 1-(2,6,6-Trimethyl-3-Cyclohexen-1-Yl)-, Trans-
• Molecular Formula: C₁₁H₁₈O
• Molecular Weight: 166.26
• CAS Registry Number: 41435-93-2
• SMILES: [C@@H]1(C(C)=O)[C@H](C=CCC1(C)C)C
• InChI: 1S/C11H18O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h5-6,8,10H,7H2,1-4H3/t8-,10-/m0/s1
• InChIKey: WLTIDHLMFJRJHE-WPRPVWTQSA-N

Properties

• Density: 0.878g/cm³ (Cal.)
• Boiling point: 214.795°C at 760 mmHg (Cal.)
• Flash point: 77.238°C (Cal.)