Allyl heptylate

• CAS: 142-19-8
• Catalog Number: ACM142198
• Category: Other Products
• Molecular Weight: 170.25g/mol
• Molecular Formula: C10H18O2
• Description: Liquid;Colourless to yellow liquid with sweet fruity pineapple odour and a slight banana hint
• IUPAC Name: prop-2-enyl heptanoate
• 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)
• Application: Allyl heptylate serves as a versatile component in flavor and fragrance industries due to its distinct aromatic profile. It is a clear, colorless liquid characterized by a unique wine-like scent with subtle banana undertones, making it a valuable ingredient in crafting perfumes with apple or pineapple nuances. Despite being poorly soluble in water and propylene glycol, this ester is compatible with essential oils and various perfume materials. Its application extends beyond fragrance to enhance fruit flavors such as apple, pineapple, banana, and an array of tropical fruits like kiwi, papaya, and mango. Additionally, it contributes fruity notes to aged cheeses, notably Parmesan and Asiago. Recognized as safe by the Flavor and Extract Manufacturers Association, allyl heptylate is instrumental in developing complex ester profiles within flavored products.
• 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