Allyl cyclohexylpropionate

• CAS: 2705-87-5
• Catalog Number: ACM2705875
• Category: Other Products
• Molecular Weight: 196.29g/mol
• Molecular Formula: C12H20O2
• Description: Liquid;Colourless liquid with a pineapple odour
• IUPAC Name: prop-2-enyl 3-cyclohexylpropanoate
• SMILES: C=CCOC(=O)CCC1CCCCC1
• InChI: InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
• InChI Key: TWXUTZNBHUWMKJ-UHFFFAOYSA-N
• Density: d2525 0.95;0.945-0.950
• Solubility: Soluble in ether, higher oils and fatty oils. Insoluble in glycerine and water;1ml in 4ml 80% ethanol (in ethanol)
• Application: Allyl cyclohexylpropionate is a versatile, colorless liquid known for its pineapple aroma. It serves multiple purposes, primarily as a flavoring agent and adjuvant in various food products, perfumes, and environmentally friendly paint thinners. Its ability to blend seamlessly with alcohol, essential oils, perfumes, and flavor chemicals makes it an ideal choice for creating complex scents and flavors. In the realm of fragrances, it's often utilized as a topnote and as a modifier for existing materials, such as allyl caproate and linalyl acetate. In flavors, it plays a crucial role as a chief carrier of fruity notes in imitation pineapple and as a modifier in imitation strawberry and raspberry flavors. Its influence is especially notable in the popular "tutti-frutti" flavor. While its concentration in perfumes typically remains below 1% of the composition, it is used in flavors at concentrations ranging from 10 to 40 ppm, depending on the product, and may be higher in items like chewing gum and certain candies. Its reported uses vary across different food categories, such as alcoholic beverages, baked goods, frozen dairy, and soft candy, offering a wide range of potential applications.
• Complexity: 181
• Covalently-Bonded Unit Count: 1
• EC Number: 220-292-5
• Exact Mass: 196.14633g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Monoisotopic Mass: 196.14633g/mol
• Refractive Index: n20D 1.4600;1.457-1.462
• Rotatable Bond Count: 6
• UNII: H4W9H3L241
• XLogP3: 3.8