3A,6,6-Trimethyl-3A,4,5,6-Tetrahydro-1-Benzofuran-2(3H)-One
[CAS# 16778-26-0]

Identification

• Name: 3A,6,6-Trimethyl-3A,4,5,6-Tetrahydro-1-Benzofuran-2(3H)-One
• Synonyms: 1,4,4-Trimethylcyclohexan-2-oneacetic acid enol lactone; 3a,6,6-Trimethyl-3a,4,5,6-tetrahydro-1-benzofuran-2(3H)-one #
• Molecular Formula: C₁₁H₁₆O₂
• Molecular Weight: 180.24
• CAS Registry Number: 16778-26-0
• SMILES: O=C2O\C1=C\C(CCC1(C2)C)(C)C
• InChI: 1S/C11H16O2/c1-10(2)4-5-11(3)7-9(12)13-8(11)6-10/h6H,4-5,7H2,1-3H3
• InChIKey: NCBAGYYDKGFEFQ-UHFFFAOYSA-N

Properties

• Density: 1.058g/cm³ (Cal.)
• Boiling point: 275.126°C at 760 mmHg (Cal.)
• Flash point: 109.978°C (Cal.)
• Refractive index: 1.504 (Cal.)