4-(2,5,6,6-Tetramethyl-2-Cyclohexen-1-Yl)-3-Buten-2-One
[CAS# 79-69-6]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Ketone fragrance >> Decenone
• Name: 4-(2,5,6,6-Tetramethyl-2-Cyclohexen-1-Yl)-3-Buten-2-One
• Synonyms: C09690; Alpha-Irone; Cis-Alpha-Irone
• Molecular Formula: C₁₄H₂₂O
• Molecular Weight: 206.33
• CAS Registry Number: 79-69-6
• EINECS: 201-219-6
• SMILES: [C@H]1(C([C@@H](CC=C1C)C)(C)C)\C=C\C(=O)C
• InChI: 1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+/t11-,13+/m1/s1
• InChIKey: JZQOJFLIJNRDHK-UZPJXDOOSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 278.7±29.0°C at 760 mmHg (Cal.)
• Flash point: 118.4±17.5°C (Cal.)