2,2,5-Trimethyl-4-Heptenoic Acid Methyl Ester
[CAS# 68891-90-7]

Identification

• Name: 2,2,5-Trimethyl-4-Heptenoic Acid Methyl Ester
• Synonyms: (E)-2,2,5-Trimethylhept-4-Enoic Acid Methyl Ester; Methyl 2,2,5-Trimethyl-4-Heptenoate; Methyl 2,5,5-Trimethylhept-4-Enoate
• Molecular Formula: C₁₁H₂₀O₂
• Molecular Weight: 184.28
• CAS Registry Number: 68891-90-7
• EINECS: 272-583-1
• SMILES: C(C(C(=O)OC)(C)C)\C=C(C)\CC
• InChI: 1S/C11H20O2/c1-6-9(2)7-8-11(3,4)10(12)13-5/h7H,6,8H2,1-5H3/b9-7+
• InChIKey: KKMHPBMLAANVOR-VQHVLOKHSA-N

Properties

• Density: 0.89g/cm³ (Cal.)
• Boiling point: 205.944°C at 760 mmHg (Cal.)
• Flash point: 61.05°C (Cal.)