ChemicalBook > CAS DataBase List > Allyl cyclohexylpropionate
Allyl cyclohexylpropionate
Identification Description Regulatory Status Usage Natural occurrence- Product Name
- Allyl cyclohexylpropionate
- CAS No.
- 2705-87-5
- Chemical Name
- Allyl cyclohexylpropionate
- Synonyms
- ALLYL CYCLOHEXANEPROPIONATE;Pineapple este;Pineapple ester;ALLYLCYCLOHEXYL PROPIONATE;Ananolide;FEMA 2026;ohexanepropionate;Allylcyclohxylpropionate;ALLYLCYCLOHEXANPROPIONAT;Allyl cyclhexylpropionate
- CBNumber
- CB5153752
- Molecular Formula
- C12H20O2
- Formula Weight
- 196.29
- MOL File
- 2705-87-5.mol
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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
- 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
- Allyl cyclohexanepropionate (2705-87-5)
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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).
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Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H317May cause an allergic skin reaction
H410Very toxic to aquatic life with long lasting effects
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P273Avoid release to the environment.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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N-Bromosuccinimide Price
Sigma-Aldrich
- Product number
- W202606
- Product name
- Allyl cyclohexanepropionate
- Purity
- ≥98%, FCC, FG
- Packaging
- sample-k
- Price
- $54.6
- Updated
- 2024/03/01
Sigma-Aldrich
- Product number
- W202606
- Product name
- Allyl cyclohexanepropionate
- Purity
- ≥98%, FCC, FG
- Packaging
- 1kg
- Price
- $92.9
- Updated
- 2024/03/01
Sigma-Aldrich
- Product number
- W202606
- Product name
- Allyl cyclohexanepropionate
- Purity
- ≥98%, FCC, FG
- Packaging
- 5kg
- Price
- $379
- Updated
- 2024/03/01
Sigma-Aldrich
- Product number
- W202606
- Product name
- Allyl cyclohexanepropionate
- Purity
- ≥98%, FCC, FG
- Packaging
- 10Kg
- Price
- $587
- Updated
- 2024/03/01
TCI Chemical
- Product number
- C0485
- Product name
- Allyl Cyclohexanepropionate
- Purity
- >98.0%(GC)
- Packaging
- 25mL
- Price
- $66
- Updated
- 2024/03/01
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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).
Allyl cyclohexylpropionate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Allyl cyclohexylpropionate manufacturers
Hebei Zhuanglai Chemical Trading Co.,Ltd
- Product
- Allyl cyclohexylpropionate 2705-87-5
- Price
- US $58.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 5000kg/week
- Release date
- 2024-05-22
WUHAN FORTUNA CHEMICAL CO., LTD
- Product
- Allyl cyclohexylpropionate 2705-87-5
- Price
- US $0.00/kg
- Min. Order
- 25kg
- Purity
- 98.0%
- Supply Ability
- 500kg/month
- Release date
- 2023-01-14
Hebei Weibang Biotechnology Co., Ltd
- Product
- Allyl cyclohexylpropionate 2705-87-5
- Price
- US $10.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10 mt
- Release date
- 2024-11-15
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