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Allyl cyclohexylpropionate
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Identification Description Regulatory Status Usage Natural occurrence
Safety
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- Product Name:Allyl cyclohexylpropionate
- CAS:2705-87-5
- MF:C12H20O2
- MW:196.29
- EINECS:220-292-5
- Mol File:2705-87-5.mol
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Allyl cyclohexylpropionate Chemical Properties
- Boiling point:91 °C1 mm Hg(lit.)
- Density 0.948 g/mL at 25 °C(lit.)
- FEMA 2026 | ALLYL CYCLOHEXANEPROPIONATE
- refractive index n
20/D 1.46(lit.)
- Flash point:227 °F
- form neat
- JECFA Number13
- InChIKeyTWXUTZNBHUWMKJ-UHFFFAOYSA-N
- CAS DataBase Reference2705-87-5(CAS DataBase Reference)
- NIST Chemistry ReferenceCyclohexanepropanoic acid, 2-propenyl ester(2705-87-5)
- EPA Substance Registry SystemAllyl 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
- HazardClass 6.1(b)
- PackingGroup III
- HS Code 29162090
- ToxicityThe acute oral LD50 has been reported as 585 mg/kg in the rat (B?r & Griepentrog, 1967).
- Language:EnglishProvider:SigmaAldrich
Allyl cyclohexylpropionate Usage And Synthesis
- Identification▼▲CAS.No.:2705-87-5FL.No.:9.498FEMA.No.:2026NAS.No.:2026CoE.No.:2223EINECS.No.:220-292-5JECFA.No.:13
- DescriptionA colorless liquid with pineapple aroma. Used as a flavoring agent or adjuvant.
- Regulatory StatusCoE: 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). - UsageReported uses (ppm): (FEMA, 1994)
▼▲Food CategoryUsualMax.Alcoholic beverages2.335.33Baked goods52.2771.15Chewing gum9.5617.21Frozen dairy20.1128.75Gelatins, puddings21.3629.81Gravies12Hard candy7.4110Nonalcoholic beverages7.213.8Soft candy44.9757.8
- Natural occurrenceNot reported found in nature.
- Chemical PropertiesAllyl 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 PropertiesA colorless liquid with pineapple aroma. Used as a flavoring agent or adjuvant
- OccurrenceApparently has not been reported to occur in nature.
- PreparationBy direct esterification of cyclohexylpropionic acid with allyl alcohol in the presence of benzene.
- Taste threshold valuesTaste characteristics at 30 ppm: fruity, pineapple, waxy, with green sweet apple nuances.
- Safety ProfilePoison by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. Combustible liquid. See ALLYL COMPOUNDS and ESTERS
- MetabolismAllyl 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
- Raw materialsAllyl alcoholCyclohexanepropionic acid
- ALLYL PROPIONATE CYCLOHEXANEPROPIONIC ACID METHYL ESTER ETHYL 4-METHYLOCTANOATE cinoxolone ETHYL CYCLOHEXANEPROPIONATE Allyl Nonanoate bakkenolide A Allyl heptanoate bakkenolide ALLYL CAPRYLATE Cyclohexene Allyl bromide Sodium allylsulfonate Cyclohexanepropionic acid Allyl alcohol Allylbenzene Allyl chloride Allyl glycidyl ether
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