2,4,4-Trimethyl-3-(3-Oxo-1-Butenyl)Cyclohex-2-En-1-One
[CAS# 27185-77-9]

Identification

• Name: 2,4,4-Trimethyl-3-(3-Oxo-1-Butenyl)Cyclohex-2-En-1-One
• Synonyms: 2,4,4-Trimethyl-3-[(E)-3-Oxobut-1-Enyl]-1-Cyclohex-2-Enone; 3-[(E)-3-Ketobut-1-Enyl]-2,4,4-Trimethyl-Cyclohex-2-En-1-One; 2-Cyclohexen-1-One, 2,4,4-Trimethyl-3-(3-Oxo-1-Butenyl)-
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.28
• CAS Registry Number: 27185-77-9 (29790-29-2)
• EINECS: 248-307-0
• SMILES: CC1(C(=C(C(=O)CC1)C)\C=C\C(=O)C)C
• InChI: 1S/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6H,7-8H2,1-4H3/b6-5+
• InChIKey: OBHGOXFSRVNKBS-AATRIKPKSA-N

Properties

• Density: 1.031g/cm³ (Cal.)
• Boiling point: 323.359°C at 760 mmHg (Cal.)
• Flash point: 121.141°C (Cal.)