2-Methyl-Propanoic Acid Heptyl Ester
[CAS# 2349-13-5]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Carboxylic acid and ester perfume >> Aromatic carboxylic acid ester
• Name: 2-Methyl-Propanoic Acid Heptyl Ester
• Synonyms: 2-Methylpropanoic Acid Heptyl Ester; 2-Methylpropionic Acid Heptyl Ester; Propanoic Acid, 2-Methyl-, Heptyl Ester
• Molecular Formula: C₁₁H₂₂O₂
• Molecular Weight: 186.29
• CAS Registry Number: 2349-13-5
• EINECS: 219-076-3
• FEMA: 2550
• SMILES: C(OC(C(C)C)=O)CCCCCC
• InChI: 1S/C11H22O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h10H,4-9H2,1-3H3
• InChIKey: RFDUMBPGZUIKOG-UHFFFAOYSA-N

Properties

• Density: 0.871g/cm³ (Cal.)
• Boiling point: 214.151°C at 760 mmHg (Cal.)
• Flash point: 82.928°C (Cal.)