Allyl cyclohexanepropionate

Base Information

• Chemical Name: Allyl cyclohexanepropionate
• CAS No.: 2705-87-5
• Molecular Formula: C12H20O2
• Molecular Weight: 196.29
• Hs Code.: 29162090
• European Community (EC) Number: 220-292-5
• UNII: H4W9H3L241
• DSSTox Substance ID: DTXSID8044755
• Nikkaji Number: J3.039B
• Wikidata: Q15726034
• RXCUI: 2383931
• Metabolomics Workbench ID: 48904
• ChEMBL ID: CHEMBL3184129
• Mol file: 2705-87-5.mol

Synonyms:2705-87-5;Allyl 3-cyclohexylpropanoate;Allyl cyclohexanepropionate;Allyl cyclohexylpropionate;Allyl 3-cyclohexylpropionate;Cyclohexanepropanoic acid, 2-propenyl ester;3-Allylcyclohexyl propionate;prop-2-enyl 3-cyclohexylpropanoate;Allyl hexahydrophenylpropionate;Prop-2-en-1-yl 3-cyclohexylpropanoate;2-Propenyl 3-cyclohexylpropanoate;Allyl beta-cyclohexylpropionate;CYCLOHEXANEPROPIONIC ACID, ALLYL ESTER;FEMA No. 2026;Ananolide;2-Propenyl cyclohexanepropanoate;Cyclohexanol, 3-allyl-, propionate;3-Cyclohexylpropionic Acid Allyl Ester;2-Propen-1-yl cyclohexanepropionate;EINECS 220-292-5;BRN 2254663;allyl-3-cyclohexyl propionate;UNII-H4W9H3L241;AI3-13233;DTXSID8044755;CHEBI:31188;Cyclohexanepropanoic acid, 2-propen-1-yl ester;H4W9H3L241;EC 220-292-5;4-09-00-00056 (Beilstein Handbook Reference);allyl cyclohexylpropanoate;allyl cyclohexane propionate;allyl cyclohexyl proprionate;allyl-3-cyclohexanepropionate;SCHEMBL19629;allyl 3 - cyclohexylpropionate;Allyl 3-cyclohexylpropanoate #;CHEMBL3184129;DTXCID6024755;FEMA 2026;Allyl cyclohexanepropionate, 98%;CAA70587;Tox21_301782;Cyclohexanepropionic Acid Allyl Ester;LMFA07010775;MFCD00059557;AKOS001584971;CS-W015700;LS-2547;prop-2-en-1-yl 2-cyclohexylpropanoate;ALLYL .BETA.-CYCLOHEXYLPROPIONATE;ALLYL CYCLOHEXANEPROPIONATE [FCC];NCGC00256109-01;ALLYL CYCLOHEXANEPROPIONATE [FHFI];AS-59331;CAS-2705-87-5;EU-0066821;FT-0622043;Allyl cyclohexanepropionate, >=98%, FCC, FG;Allyl cyclohexanepropionate, analytical standard;D70161;Propanoic acid, 3-cyclohexyl, 2-propenyl ester;PROPANOIC ACID,3-CYCLOHEXYL,ALLYL ESTER;SR-01000389378;SR-01000389378-1;W-109817;Q15726034

Chemical Property of Allyl cyclohexanepropionate

Chemical Property:

• Vapor Pressure: 0.013mmHg at 25°C
• Refractive Index: n20/D 1.46(lit.)
• Boiling Point: 265.3 °C at 760 mmHg
• Flash Point: 108.7 °C
• PSA: 26.30000
• Density: 0.94 g/cm³
• LogP: 3.07610
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: almost transparency in Methanol
• Water Solubility.: 16.5mg/L at 20℃
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 196.146329876
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

Allyl3-Cyclohexylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC(=O)CCC1CCCCC1
• Description: A colorless liquid with pineapple aroma. Used as a flavoring agent or adjuvant.
• Uses: Allyl 3-Cyclohexylpropanoate is used in preparation of a new type of environmentally friendly paint thinner.