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Allyl cyclohexylpropionate

Identification Description Regulatory Status Usage Natural occurrence

CAS No.2705-87-5
Chemical Name:Allyl cyclohexylpropionate
CBNumber:CB5153752
Molecular Formula:C12H20O2
Formula Weight:196.29
MOL File:2705-87-5.mol

Allyl cyclohexylpropionate Property

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
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
InChIKey TWXUTZNBHUWMKJ-UHFFFAOYSA-N
LogP 4.276 at 20℃
CAS DataBase Reference 2705-87-5(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) ALLYL CYCLOHEXANEPROPIONATE
FDA 21 CFR 172.515
FDA UNII H4W9H3L241
NIST Chemistry Reference Cyclohexanepropanoic acid, 2-propenyl ester(2705-87-5)
EPA Substance Registry System Allyl cyclohexanepropionate (2705-87-5)
UNSPSC Code 85151701
NACRES NA.24

Safety

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
Toxicity :The acute oral LD₅₀ has been reported as 585 mg/kg in the rat (B?r & Griepentrog, 1967).

NFPA 704:

	1
2		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H302+H312+H332-H317-H410
Precautionary statements P261-P273-P280-P301+P312-P302+P352+P312-P304+P340+P312

Allyl cyclohexylpropionate Price More Price(6)

Brand: Sigma-Aldrich(India)
Product number: W202606
Product name : Allyl cyclohexanepropionate
Purity: ≥98%, FCC, FG
Packaging: 1SAMPLE-K
Price: ₹5141.88
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W202606
Product name : Allyl cyclohexanepropionate
Purity: ≥98%, FCC, FG
Packaging: 1KG
Price: ₹9699.2
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W202606
Product name : Allyl cyclohexanepropionate
Purity: ≥98%, FCC, FG
Packaging: 5KG
Price: ₹34694.13
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W202606
Product name : Allyl cyclohexanepropionate
Purity: ≥98%, FCC, FG
Packaging: 10KG
Price: ₹63120.58
Updated: 2022/06/14
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Brand: TCI Chemicals (India)
Product number: C0485
Product name : Allyl Cyclohexanepropionate
Purity: min. 98.0 %
Packaging: 25ML
Price: ₹1800
Updated: 2022/05/26
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Allyl cyclohexylpropionate Chemical Properties,Usage,Production

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)

Food Category

Usual

Max.

Alcoholic beverages

2.33

5.33

Baked goods

52.27

71.15

Chewing gum

9.56

17.21

Frozen dairy

20.11

28.75

Gelatins, puddings

21.36

29.81

Gravies

1

2

Hard candy

7.41

10

Nonalcoholic beverages

7.2

13.8

Soft candy

44.97

57.8
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).