Butyl (E)-3-Hydroxy-3-Methyl-5-(2,6,6-Trimethyl-1-Cyclohex-2-Enyl)Pent-4-Enoate
[CAS# 72727-71-0]

Identification

• Name: Butyl (E)-3-Hydroxy-3-Methyl-5-(2,6,6-Trimethyl-1-Cyclohex-2-Enyl)Pent-4-Enoate
• Synonyms: (E)-3-Hydroxy-3-Methyl-5-(2,6,6-Trimethyl-1-Cyclohex-2-Enyl)Pent-4-Enoic Acid Butyl Ester; 4-Pentenoic Acid, 3-Hydroxy-3-Methyl-5-(2,6,6-Trimethyl-2-Cyclohexen-1-Yl)-, Butyl Ester
• Molecular Formula: C₁₉H₃₂O₃
• Molecular Weight: 308.46
• CAS Registry Number: 72727-71-0
• EINECS: 276-804-2
• SMILES: C(C(O)(/C=C/C1C(CCC=C1C)(C)C)C)C(OCCCC)=O
• InChI: 1S/C19H32O3/c1-6-7-13-22-17(20)14-19(5,21)12-10-16-15(2)9-8-11-18(16,3)4/h9-10,12,16,21H,6-8,11,13-14H2,1-5H3/b12-10+
• InChIKey: QRQVLSMUEPAWSS-ZRDIBKRKSA-N

Properties

• Density: 0.999g/cm³ (Cal.)
• Boiling point: 399.437°C at 760 mmHg (Cal.)
• Flash point: 151.145°C (Cal.)