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| | Allyl cyclohexylpropionate Chemical Properties |
| Melting point | <-20° | | Boiling point | 91 °C1 mm Hg(lit.) | | density | 0.948 g/mL at 25 °C(lit.) | | vapor pressure | 3.8Pa at 25℃ | | FEMA | 2026 | ALLYL CYCLOHEXANEPROPIONATE | | refractive index | n20/D 1.46(lit.) | | Fp | 227 °F | | storage temp. | Inert atmosphere,Room Temperature | | solubility | almost transparency in Methanol | | color | Colorless to Almost colorless | | Odor | at 100.00 %. sweet pineapple tropical fruity candy waxy | | Odor Type | fruity | | biological source | synthetic | | Water Solubility | 16.5mg/L at 20℃ | | JECFA Number | 13 | | Major Application | cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care | | Cosmetics Ingredients Functions | PERFUMING | | InChI | 1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2 | | InChIKey | TWXUTZNBHUWMKJ-UHFFFAOYSA-N | | SMILES | C=CCOC(=O)CCC1CCCCC1 | | LogP | 4.276 at 20℃ | | CAS DataBase Reference | 2705-87-5(CAS DataBase Reference) | | NIST Chemistry Reference | Cyclohexanepropanoic acid, 2-propenyl ester(2705-87-5) | | EPA Substance Registry System | Allyl cyclohexanepropionate (2705-87-5) |
| Hazard Codes | Xn | | Risk Statements | 20/21/22 | | Safety Statements | 36/37/39-45 | | RIDADR | 2810 | | WGK Germany | 2 | | RTECS | GV6735000 | | TSCA | TSCA listed | | HazardClass | 6.1(b) | | PackingGroup | III | | HS Code | 29162090 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Skin Sens. 1 | | toxicity | The acute oral LD50 has been reported as 585 mg/kg in the rat (Br &
Griepentrog, 1967). |
| | Allyl cyclohexylpropionate Usage And Synthesis |
| Identification |
CAS.No.:
2705-87-5
FL.No.:
9.498
FEMA.No.:
2026
NAS.No.:
2026
CoE.No.:
2223
EINECS.No.:
220-292-5
JECFA.No.:
13
| | Description | A colorless liquid with pineapple aroma. Used as a flavoring agent or adjuvant. | | Regulatory Status | CoE: Used provisionally. Bev.: 10 ppm; Food: 10 ppm
FDA: 21 CFR 172.515
FDA (other): n/a
JECFA: ADI: Acceptable. No safety concern at current levels of intake when used as a flavoring agent (1996).
| | Usage | Reported uses (ppm): (FEMA, 1994)
Alcoholic beverages
2.33
5.33
Gelatins, puddings
21.36
29.81
Nonalcoholic beverages
7.2
13.8
| | Natural occurrence | Not reported found in nature.
| | Chemical Properties | Allyl cyclohexylpropionate has not been found in nature. It is a colorless
liquid with a sweet, fruity odor, reminiscent of pineapples.The ester is prepared
by esterification of 3-cyclohexylpropionic acid (obtained by hydrogenation of cinnamic
acid) with allyl alcohol. It is used in perfumery to obtain fruity top notes as
well as pineapple and chamomile nuances. | | Chemical Properties | A colorless liquid with pineapple aroma. Almost insoluble
in water, miscible with alcohol, essential oils,
perfume and flavor chemicals. Used as a flavoring agent or adjuvant | | Occurrence | Apparently has not been reported to occur in nature. | | Uses | Allyl 3-Cyclohexylpropanoate is used in preparation of a new type of environmentally friendly paint thinner. It useful as a topnote ingredient in certain
perfume types, also as a modifier for already
existing materials: Allyl caproate, Linalylacetate, Methyl phenyl carbinyl propionate,
Sweet Orange oil, etc. More important in flavors: this chemical is
often the chief carrier of the fruity note in
imitation Pineapple, and an interesting modifier in imitation Strawberry, Raspbe~, etc.
A powerful fortifier in the popular “tutti-
-frutti” flavor types. Concentration in perfumes: usually less than
1% of the composition. Concentration in
flavors: 10 to 40 ppm in finished food products,
somewhat higher in chewing gum and certain
candies. | | Definition | ChEBI: Allyl cyclohexylpropionate is a fatty acid ester. | | Preparation | By direct esterification of cyclohexylpropionic acid with allyl alcohol in the presence of benzene. | | Taste threshold values | Taste characteristics at 30 ppm: fruity, pineapple, waxy, with green sweet apple nuances. | | Flammability and Explosibility | Not classified | | Safety Profile | Poison by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. Combustible liquid. See ALLYL COMPOUNDS and ESTERS | | Metabolism | Allyl compounds are metabolized to mercapturic acid which is excreted in the urine (Clapp, Kaye & Young, 1969). Cyclohexylpropionic acid is aromatized to benzoic acid and excreted as hippuric acid in the urine. Substituted cyclohexylcarboxylic acids are either excreted unchanged or completely oxidized (Williams, 1959). |
| | Allyl cyclohexylpropionate Preparation Products And Raw materials |
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