Allyl cyclohexanepropionate
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Allyl cyclohexanepropionate
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CAS No:
2705-87-5
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Formula:
C12H20O2
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Chemical Name:
Allyl cyclohexanepropionate
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Synonyms:
Cyclohexanepropanoic acid,2-propen-1-yl ester;Cyclohexanepropionic acid,allyl ester;Cyclohexanepropanoic acid,2-propenyl ester;Allyl cyclohexanepropionate;Ananolide;2-Propenyl 3-cyclohexylpropanoate;Allyl 3-cyclohexylpropionate;2-Propenyl cyclohexanepropionate;Allyl cyclohexylpropionate;Allyl cyclohexanepropanoate
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CAS No:
Description
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. A colorless liquid with pineapple aroma. Used as a flavoring agent or adjuvant
Liquid|Colourless liquid with a pineapple odour
Allyl cyclohexylpropionate is a fatty acid ester.
Allyl cyclohexanepropionate Basic Attributes
196.29
196.29
220-292-5
H4W9H3L241
DTXSID8044755
2916209090
Characteristics
26.3
3.8
Liquid
0.9±0.1 g/cm3
91 °C1 mm Hg(lit.)
227 °F
1.459
Soluble in ether, higher oils and fatty oils. Insoluble in glycerine and water
0.013mmHg at 25°C
Oral-rat LD50: 585 mg/kg; Oral-guinea pig LD50: 380 mg/kg
Flammable; burning produces irritating fumes
Safety Information
III
6.1(b)
2810
2
20/21/22
36/37/39-45
GV6735000
Xn
Treasury is ventilated, low temperature and dry; stored separately from food materials
P280
H302 + H312 + H332
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P332+P313, P333+P313, P362, P363, P391, and P501|Aggregated GHS information provided by 1887 companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P302+P352, P312, P321, P322, P330, P361, P363, P405, and P501
Allyl cyclohexanepropionate Use and Manufacturing
The allyl alcohol and cyclohexyl propionic acid are dissolved in benzene and directly esterified in the presence of sulfuric acid to obtain the finished product.
Commonly used spices in beverage, confectionery, food industry, also used in cosmetic industry and pharmaceutical industry, such as an important intermediate in the total synthesis of vitamin A.
Odor agents
Air care products
100,000 - 500,000 lb
All other chemical product and preparation manufacturing|Cyclohexanepropanoic acid, 2-propen-1-yl ester: ACTIVE
Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:196.29
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:196.146329876
Monoisotopic Mass:196.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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