Propyl [(1R,2R)-3-Oxo-2-Pentylcyclopentyl]Acetate
[CAS# 158474-72-7]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Ketone fragrance >> Alicyclic ketone
• Name: Propyl [(1R,2R)-3-Oxo-2-Pentylcyclopentyl]Acetate
• Molecular Formula: C₁₅H₂₆O₃
• Molecular Weight: 254.37
• CAS Registry Number: 158474-72-7
• SMILES: O=C(C[C@H]1CCC(=O)[C@@H]1CCCCC)OCCC
• InChI: 1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3/t12-,13-/m1/s1
• InChIKey: IPDFPNNPBMREIF-CHWSQXEVSA-N

Properties

• Density: 0.968g/cm³ (Cal.)
• Boiling point: 340.167°C at 760 mmHg (Cal.)
• Flash point: 145.252°C (Cal.)
• Refractive index: 1.455 (Cal.)