(3R,3aR,7R,7aR)-7-Hydroxy-3-methyl-7a-(2-oxopropyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one
[CAS# 819848-98-1]

Identification

• Name: (3R,3aR,7R,7aR)-7-Hydroxy-3-methyl-7a-(2-oxopropyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one
• Synonyms: (3R,3aR,7R,7aR)-7-hydroxy-3-methyl-7a-(2-oxopropyl)-3a,4,7,7a-tetrahydroisobenzofuran-1(3H)-one
• Molecular Formula: C₁₂H₁₆O₄
• Molecular Weight: 224.25
• CAS Registry Number: 819848-98-1
• SMILES: O=C1O[C@@H]([C@H]2[C@@]1([C@H](O)/C=C\C2)CC(=O)C)C
• InChI: 1S/C12H16O4/c1-7(13)6-12-9(4-3-5-10(12)14)8(2)16-11(12)15/h3,5,8-10,14H,4,6H2,1-2H3/t8-,9+,10-,12-/m1/s1
• InChIKey: HMARNVIAIBSBKQ-DTHBNOIPSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 412.335°C at 760 mmHg (Cal.)
• Flash point: 160.904°C (Cal.)
• Refractive index: 1.524 (Cal.)