Allyl heptylate

• Catalog Number: ACM142198
• Product Name: Allyl heptylate
• CAS: 142-19-8
• Category: Heterocyclic Organic Compound
• Description: Liquid;Colourless to yellow liquid with sweet fruity pineapple odour and a slight banana hint
• IUPAC Name: prop-2-enyl heptanoate
• Molecular Weight: 170.25g/mol
• Molecular Formula: C10H18O2
• Canonical SMILES: CCCCCCC(=O)OCC=C
• InChI: InChI=1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3
• InChI Key: SJWKGDGUQTWDRV-UHFFFAOYSA-N
• Density: d15.54 0.89;0.880-0.885
• Solubility: 1ml in 1ml 95% ethanol (in ethanol)
• Complexity: 130
• Covalently-Bonded Unit Count: 1
• EC Number: 205-527-1
• Exact Mass: 170.13068g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 12
• Monoisotopic Mass: 170.13068g/mol
• NSC Number: 20969
• Refractive Index: n20D 1.4290;1.426-1.430
• Rotatable Bond Count: 8
• RTECS Number: MJ1750000
• UNII: AU4CYG9V68
• XLogP3: 3.2