Allyl cyclohexylpropionate

Synonym(s):2-Propenyl 3-cyclohexylpropanoate;Allyl 3-cyclohexylpropionate;Cyclohexanepropanoic acid 2-propen-1-yl ester;Cyclohexanepropionic acid allyl ester

CAS NO.：2705-87-5
Empirical Formula: C12H20O2
Molecular Weight: 196.29
MDL number: MFCD00059557
EINECS: 220-292-5
SAFETY DATA SHEET (SDS)
Update Date: 2024-12-18 14:08:52

What is Allyl cyclohexylpropionate ?

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.

The Uses of Allyl cyclohexylpropionate

Allyl 3-Cyclohexylpropanoate is used in preparation of a new type of environmentally friendly paint thinner.

Preparation

By direct esterification of cyclohexylpropionic acid with allyl alcohol in the presence of benzene.

Definition

ChEBI: Allyl cyclohexylpropionate is a fatty acid ester.

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).

Properties of Allyl cyclohexylpropionate

Boiling point:	91 °C1 mm Hg(lit.)
Density	0.948 g/mL at 25 °C(lit.)
vapor pressure	3.8Pa at 25℃
refractive index	n20/D 1.46(lit.)
FEMA	2026 \| ALLYL CYCLOHEXANEPROPIONATE
Flash point:	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
Water Solubility	16.5mg/L at 20℃
JECFA Number	13
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)

Safety information for Allyl cyclohexylpropionate

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07 Environment GHS09
GHS Hazard Statements	H317:Sensitisation, Skin H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.