Ethyl 3,5,5-Trimethylhexanoate
[CAS# 67707-75-9]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Carboxylic acid and ester perfume >> Aliphatic carboxylate
• Name: Ethyl 3,5,5-Trimethylhexanoate
• Synonyms: 3,5,5-Trimethylhexanoic Acid Ethyl Ester; 3,5,5-Trimethyl-Ethylcapronate
• Molecular Formula: C₁₁H₂₂O₂
• Molecular Weight: 186.29
• CAS Registry Number: 67707-75-9
• EINECS: 266-959-4
• SMILES: C(C(C)(C)C)C(CC(OCC)=O)C
• InChI: 1S/C11H22O2/c1-6-13-10(12)7-9(2)8-11(3,4)5/h9H,6-8H2,1-5H3
• InChIKey: NMZMQQBBZRGLPJ-UHFFFAOYSA-N

Properties

• Density: 0.87g/cm³ (Cal.)
• Boiling point: 193.211°C at 760 mmHg (Cal.)
• Flash point: 71.672°C (Cal.)