4-(2,2,3-Trimethyl-6-Methylenecyclohexyl)-3-Buten-2-One
[CAS# 79-68-5]

Identification

• Name: 4-(2,2,3-Trimethyl-6-Methylenecyclohexyl)-3-Buten-2-One
• Synonyms: (E)-4-[(1S,3R)-2,2,3-Trimethyl-6-Methylene-Cyclohexyl]But-3-En-2-One; (E)-4-[(1S,3R)-2,2,3-Trimethyl-6-Methylenecyclohexyl]But-3-En-2-One; (E)-4-[(1S,3R)-2,2,3-Trimethyl-6-Methylidene-Cyclohexyl]But-3-En-2-One
• Molecular Formula: C₁₄H₂₂O
• Molecular Weight: 206.33
• CAS Registry Number: 79-68-5
• EINECS: 201-218-0
• SMILES: [C@H]1(C([C@@H](CCC1=C)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/h8-9,11,13H,1,6-7H2,2-5H3/b9-8+/t11-,13+/m1/s1
• InChIKey: MVPDTCQYNRKWJA-UZPJXDOOSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 279.3±29.0°C at 760 mmHg (Cal.)
• Flash point: 118.7±17.5°C (Cal.)