| Identification | More | [Name]
Allyl cyclohexylpropionate | [CAS]
2705-87-5 | [Synonyms]
3-CYCLOHEXANEPROPIONIC ACID ALLYL ESTER
3-CYCLOHEXYLPROPIONIC ACID ALLYL ESTER
ALLYL 3-CYCLOHEXANEPROPIONATE
ALLYL 3-CYCLOHEXYLPROPIONATE
ALLYL CYCLOHEXANEPROPIONATE
ALLYLCYCLOHEXYL PROPIONATE
FEMA 2026
3-allyl-cyclohexanopropionate
3-Allylcyclohexyl propionate
3-allylcyclohexylpropionate
Allyl 3-cyclohexylpropanoate
allyl cyclohexylpropanoate
Allyl hexahydrophenylpropionate
Allylcyclohxylpropionate
allylhexahydrophenylpropionate
Ananolide
Cyclohexanepropanoicacid,2-propenylester
Cyclohexanepropionic acid, allyl ester
cyclohexanepropionicacid,allylester
Cyclohexanol, 3-allyl-, propionate | [EINECS(EC#)]
220-292-5 | [Molecular Formula]
C12H20O2 | [MDL Number]
MFCD00059557 | [Molecular Weight]
196.29 | [MOL File]
2705-87-5.mol |
| Chemical Properties | Back Directory | [Boiling point ]
91 °C1 mm Hg(lit.)
| [density ]
0.948 g/mL at 25 °C(lit.)
| [vapor pressure ]
3.8Pa at 25℃ | [FEMA ]
2026 | [refractive index ]
n20/D 1.46(lit.)
| [Fp ]
227 °F
| [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
almost transparency in Methanol | [form ]
neat | [color ]
Colorless to Almost colorless | [Odor]
at 100.00 %. sweet pineapple tropical fruity candy waxy | [biological source]
synthetic | [Odor Type]
fruity | [Water Solubility ]
16.5mg/L at 20℃ | [JECFA Number]
13 | [InChIKey]
TWXUTZNBHUWMKJ-UHFFFAOYSA-N | [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]
2705-87-5(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
2810 | [WGK Germany ]
2
| [RTECS ]
GV6735000
| [HazardClass ]
6.1(b) | [PackingGroup ]
III | [HS Code ]
29162090 | [Safety Profile]
Poison by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. Combustible liquid. See ALLYL COMPOUNDS and ESTERS | [Toxicity]
The acute oral LD50 has been reported as 585 mg/kg in the rat (B?r &
Griepentrog, 1967). |
| Questions And Answer | Back Directory | [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.
|
| Hazard Information | Back Directory | [Chemical Properties]
A colorless liquid with pineapple aroma. Used as a flavoring agent or adjuvant | [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. | [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. | [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]
Notclassified | [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). |
|
|