(3aR,7aR)-3,3-Dimethyl-7a-(2-propyn-1-yl)-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one
[CAS# 811440-23-0]

Identification

• Name: (3aR,7aR)-3,3-Dimethyl-7a-(2-propyn-1-yl)-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one
• Synonyms: (3aR,7aR)-3,3-dimethyl-7a-(prop-2-yn-1-yl)-3a,4,7,7a-tetrahydroisobenzofuran-1(3H)-one
• Molecular Formula: C₁₃H₁₆O₂
• Molecular Weight: 204.26
• CAS Registry Number: 811440-23-0
• SMILES: O=C1OC([C@H]2[C@@]1(C/C=C\C2)CC#C)(C)C
• InChI: 1S/C13H16O2/c1-4-8-13-9-6-5-7-10(13)12(2,3)15-11(13)14/h1,5-6,10H,7-9H2,2-3H3/t10-,13-/m0/s1
• InChIKey: ZRKFSIFRPJSABF-GWCFXTLKSA-N

Properties

• Density: 1.061g/cm³ (Cal.)
• Boiling point: 311.594°C at 760 mmHg (Cal.)
• Flash point: 127.717°C (Cal.)
• Refractive index: 1.506 (Cal.)