1-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-1-Penten-3-One
[CAS# 127-43-5]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Ketone fragrance >> Decenone
• Name: 1-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-1-Penten-3-One
• Synonyms: (E)-1-(2,6,6-Trimethyl-1-Cyclohexenyl)Pent-1-En-3-One; (E)-1-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)Pent-1-En-3-One
• Molecular Formula: C₁₄H₂₂O
• Molecular Weight: 206.33
• CAS Registry Number: 127-43-5
• EINECS: 204-843-7
• FEMA: 2712
• SMILES: C(C)C(/C=C/C1=C(CCCC1(C)C)C)=O
• InChI: 1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+
• InChIKey: LMWNGLDCJDIIBR-CMDGGOBGSA-N

Properties

• Density: 0.937g/cm³ (Cal.)
• Boiling point: 301.039°C at 760 mmHg (Cal.)
• Flash point: 130.8°C (Cal.)