7-Isopropyl-4-Methyloxepan-2-One
[CAS# 499-54-7]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Carboxylic acid and ester perfume >> Aromatic carboxylic acid ester
• Name: 7-Isopropyl-4-Methyloxepan-2-One
• Synonyms: 7-Isopropyl-4-Methyl-Oxepan-2-One; 7-Isopropyl-4-Methyl-2-Oxepanone; 4-Methyl-7-Propan-2-Yl-Oxepan-2-One
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.25
• CAS Registry Number: 499-54-7 (68330-67-6)
• EINECS: 207-882-8
• SMILES: CC(C1OC(CC(CC1)C)=O)C
• InChI: 1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3
• InChIKey: GGAXPLCKKANQED-UHFFFAOYSA-N

Properties

• Density: 0.926g/cm³ (Cal.)
• Boiling point: 248.326°C at 760 mmHg (Cal.)
• Flash point: 96.562°C (Cal.)