(2E)-6,6-Dimethyl-2-Hepten-4-Ynoic Acid
[CAS# 54599-50-7]

Identification

• Name: (2E)-6,6-Dimethyl-2-Hepten-4-Ynoic Acid
• Synonyms: (E)-6,6-Dimethyl-hept-2-en-4-ynoic acid; (E)-6,6-DIMETHYL-HEPT-2-EN-4-YNOICACID
• Molecular Formula: C₉H₁₂O₂
• Molecular Weight: 152.19
• CAS Registry Number: 54599-50-7
• SMILES: CC(C)(C)C#CC=CC(=O)O
• InChI: 1S/C9H12O2/c1-9(2,3)7-5-4-6-8(10)11/h4,6H,1-3H3,(H,10,11)/b6-4+
• InChIKey: LLBLLOJABCZYKK-GQCTYLIASA-N

Properties

• Density: 1.024g/cm³ (Cal.)
• Boiling point: 247.387°C at 760 mmHg (Cal.)
• Flash point: 117.541°C (Cal.)