(3E)-4-[(1R,2S,6S)-1,3,3-Trimethyl-7-oxabicyclo[4.1.0]hept-2-yl]-3-buten-2-one
[CAS# 809237-15-8]

Identification

• Name: (3E)-4-[(1R,2S,6S)-1,3,3-Trimethyl-7-oxabicyclo[4.1.0]hept-2-yl]-3-buten-2-one
• Synonyms: (E)-4-((1R,2S,6S)-1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)but-3-en-2-one
• Molecular Formula: C₁₃H₂₀O₂
• Molecular Weight: 208.30
• CAS Registry Number: 809237-15-8
• SMILES: CC(=O)/C=C/[C@@H]1[C@@]2([C@@H](O2)CCC1(C)C)C
• InChI: 1S/C13H20O2/c1-9(14)5-6-10-12(2,3)8-7-11-13(10,4)15-11/h5-6,10-11H,7-8H2,1-4H3/b6-5+/t10-,11-,13+/m0/s1
• InChIKey: ODMUHAHUBCUABS-GCFOFOGTSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 302.4±15.0°C at 760 mmHg (Cal.)
• Flash point: 123.1±13.9°C (Cal.)
• Refractive index: 1.532 (Cal.)