(1R,4E,5S)-1,8,8-Trimethyl-4-propylidene-2-oxabicyclo[3.2.1]octan-3-one
[CAS# 798554-36-6]

Identification

• Name: (1R,4E,5S)-1,8,8-Trimethyl-4-propylidene-2-oxabicyclo[3.2.1]octan-3-one
• Synonyms: (1R,5S,E)-1,8,8-trimethyl-4-propylidene-2-oxabicyclo[3.2.1]octan-3-one
• Molecular Formula: C₁₃H₂₀O₂
• Molecular Weight: 208.30
• CAS Registry Number: 798554-36-6
• SMILES: CC/C=C/1\[C@H]2CC[C@](C2(C)C)(OC1=O)C
• InChI: 1S/C13H20O2/c1-5-6-9-10-7-8-13(4,12(10,2)3)15-11(9)14/h6,10H,5,7-8H2,1-4H3/b9-6+/t10-,13-/m1/s1
• InChIKey: XEEXPJCSPURNOI-HPAUXDNMSA-N

Properties

• Density: 1.055g/cm³ (Cal.)
• Boiling point: 309.408°C at 760 mmHg (Cal.)
• Flash point: 126.669°C (Cal.)
• Refractive index: 1.536 (Cal.)