(1R,4E,5S)-1,8,8-Trimethyl-4-(2-propyn-1-ylidene)-2-oxabicyclo[3.2.1]octan-3-one
[CAS# 798554-39-9]

Identification

• Name: (1R,4E,5S)-1,8,8-Trimethyl-4-(2-propyn-1-ylidene)-2-oxabicyclo[3.2.1]octan-3-one
• Synonyms: (1R,5S,E)-1,8,8-trimethyl-4-(prop-2-yn-1-ylidene)-2-oxabicyclo[3.2.1]octan-3-one
• Molecular Formula: C₁₃H₁₆O₂
• Molecular Weight: 204.26
• CAS Registry Number: 798554-39-9
• SMILES: C[C@@]12CC[C@@H](C1(C)C)/C(=C\C#C)/C(=O)O2
• InChI: 1S/C13H16O2/c1-5-6-9-10-7-8-13(4,12(10,2)3)15-11(9)14/h1,6,10H,7-8H2,2-4H3/b9-6+/t10-,13-/m1/s1
• InChIKey: JPJQJOSVXQAAOF-HPAUXDNMSA-N

Properties

• Density: 1.128g/cm³ (Cal.)
• Boiling point: 294.117°C at 760 mmHg (Cal.)
• Flash point: 119.287°C (Cal.)
• Refractive index: 1.569 (Cal.)