NAVIGATION


Allyl cyclohexylpropionate

Catalog NumberACM2705875

CAS Number2705-87-5

CategoryMonomers

Allyl cyclohexylpropionate
Description
Liquid;Colourless liquid with a pineapple odour
IUPAC Name
prop-2-enyl 3-cyclohexylpropanoate
Molecular Weight
196.29g/mol
Molecular Formula
C12H20O2
Canonical 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
Purity
98%
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
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
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