5-Methylhexanoic Acid 3-Methyl-2-Butenyl Ester
[CAS# 73003-75-5]

Identification

• Name: 5-Methylhexanoic Acid 3-Methyl-2-Butenyl Ester
• Synonyms: 5-Methylhexanoic Acid 3-Methylbut-2-Enyl Ester; 3-Methyl-2-Butenyl 5-Methylhexanoate; Hexanoic Acid, 5-Methyl-, 3-Methyl-2-Butenyl Ester
• Molecular Formula: C₁₂H₂₂O₂
• Molecular Weight: 198.30
• CAS Registry Number: 73003-75-5
• SMILES: C(OC(=O)CCCC(C)C)C=C(C)C
• InChI: 1S/C12H22O2/c1-10(2)6-5-7-12(13)14-9-8-11(3)4/h8,10H,5-7,9H2,1-4H3
• InChIKey: QEQSNJLEZNHMKS-UHFFFAOYSA-N

Properties

• Density: 0.886g/cm³ (Cal.)
• Boiling point: 250.1°C at 760 mmHg (Cal.)
• Flash point: 82.45°C (Cal.)