(E)-4-[(1S,5S)-2,5,6,6-Tetramethyl-1-Cyclohex-2-Enyl]But-3-En-2-One
[CAS# 35124-14-2]

Identification

• Name: (E)-4-[(1S,5S)-2,5,6,6-Tetramethyl-1-Cyclohex-2-Enyl]But-3-En-2-One
• Synonyms: (+)-Trans-Alpha-Irone; C11350; Trans-Alpha-Irone
• Molecular Formula: C₁₄H₂₂O
• Molecular Weight: 206.33
• CAS Registry Number: 35124-14-2
• SMILES: [C@H]1(C([C@@H](C)CC=C1C)(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-/m0/s1
• InChIKey: JZQOJFLIJNRDHK-SXDPYWSBSA-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.)