3,6,6-Trimethyl-4-Oxo-4,5,6,7-Tetrahydro-1-Benzofuran-2-Carboxylic Acid
[CAS# 121625-80-7]

Identification

• Name: 3,6,6-Trimethyl-4-Oxo-4,5,6,7-Tetrahydro-1-Benzofuran-2-Carboxylic Acid
• Synonyms: 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylic acid; 3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-benzofuran-2-carboxylic acid; 3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[1,2-b]furan-2-carboxylic acid
• Molecular Formula: C₁₂H₁₄O₄
• Molecular Weight: 222.24
• CAS Registry Number: 121625-80-7
• SMILES: CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)O
• InChI: 1S/C12H14O4/c1-6-9-7(13)4-12(2,3)5-8(9)16-10(6)11(14)15/h4-5H2,1-3H3,(H,14,15)
• InChIKey: AUDCUKXUYOTTBM-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 394.7±42.0°C at 760 mmHg (Cal.)
• Flash point: 192.5±27.9°C (Cal.)
• Refractive index: 1.531 (Cal.)

Safety Data

• Safety Description: IRRITANT