1-(2,6,6-Trimethyl-1-Cyclohexenyl)Butane-1,3-Dione
[CAS# 39900-12-4]

Identification

• Name: 1-(2,6,6-Trimethyl-1-Cyclohexenyl)Butane-1,3-Dione
• Synonyms: 1,3-Butanedione, 1-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-; 1-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)Butane-1,3-Dione
• Molecular Formula: C₁₃H₂₀O₂
• Molecular Weight: 208.30
• CAS Registry Number: 39900-12-4
• EINECS: 254-692-6
• SMILES: C(C(=O)C1=C(CCCC1(C)C)C)C(=O)C
• InChI: 1S/C13H20O2/c1-9-6-5-7-13(3,4)12(9)11(15)8-10(2)14/h5-8H2,1-4H3
• InChIKey: HZBFGGQVOGNFKB-UHFFFAOYSA-N

Properties

• Density: 0.966g/cm³ (Cal.)
• Boiling point: 297.686°C at 760 mmHg (Cal.)
• Flash point: 111.12°C (Cal.)