(1S,4S,5R)-4-Ethyl-1-(3-Methylphenyl)-3-Oxabicyclo[3.1.0]Hexan-2-One
[CAS# 528588-21-8]

Identification

• Name: (1S,4S,5R)-4-Ethyl-1-(3-Methylphenyl)-3-Oxabicyclo[3.1.0]Hexan-2-One
• Synonyms: (1S,4S,5R)-4-ethyl-1-(m-tolyl)-3-oxabicyclo[3.1.0]hexan-2-one
• Molecular Formula: C₁₄H₁₆O₂
• Molecular Weight: 216.28
• CAS Registry Number: 528588-21-8
• SMILES: CC[C@H]1[C@@H]2C[C@@]2(C(=O)O1)c3cccc(c3)C
• InChI: 1S/C14H16O2/c1-3-12-11-8-14(11,13(15)16-12)10-6-4-5-9(2)7-10/h4-7,11-12H,3,8H2,1-2H3/t11-,12-,14+/m0/s1
• InChIKey: JRMNRCVYLATZGA-SGMGOOAPSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 361.897°C at 760 mmHg (Cal.)
• Flash point: 151.301°C (Cal.)
• Refractive index: 1.567 (Cal.)