Allyl sorbate

Base Information

• Chemical Name: Allyl sorbate
• CAS No.: 7493-75-6
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 2916190090
• European Community (EC) Number: 231-336-8,275-698-5,695-835-6
• UNII: 437U27070O
• DSSTox Substance ID: DTXSID90884391
• Nikkaji Number: J1.198.438J,J60.755J
• Wikidata: Q27258625
• Metabolomics Workbench ID: 47283
• ChEMBL ID: CHEMBL246378
• Mol file: 7493-75-6.mol

Synonyms:ALLYL SORBATE;Allyl hexadienoate;7493-75-6;Allyl 2,4-hexadienoate;Sorbic acid, allyl ester;2-Propenyl 2,4-hexadienoate;Allyl hexa-2,4-dienoate;prop-2-enyl (2E,4E)-hexa-2,4-dienoate;2,4-Hexadienoic acid, 2-propenyl ester, (2E,4E)-;FEMA No. 2041;30895-79-5;EINECS 275-698-5;2,4-Hexadienoic acid, 2-propenyl ester;71617-07-7;UNII-437U27070O;allyl (2E,4E)-2,4-hexadienoate;2,4-Hexadienoic acid, 2-propenyl ester, (E,E)-;EINECS 231-336-8;PROP-2-EN-1-YL (2E,4E)-HEXA-2,4-DIENOATE;2,4-Hexadienoic acid, 2-propen-1-yl ester, (2E,4E)-;2-Propenyl 2,4-hexadienoate, (E,E)-;AI3-21792;2-Propenyl 2,4-hexadienoate, trans,trans-;437U27070O;ALLYLSORBATE;(E,E)-allyl sorbate;Sorbic acid allyl ester;ALLYL SORBATE [FHFI];CHEMBL246378;SCHEMBL1123521;DTXSID90884391;2,4-Hexadienoic acid allyl ester;CHEBI:179256;CVNZYQJBZIJLCL-TWTPFVCWSA-N;(2E,4E)-allyl hexa-2,4-dienoate;LMFA07010740;(E,E)-2-Propenyl 2,4-hexadienoate;AKOS006230361;trans,trans-2-Propenyl 2,4-hexadienoate;(2E,4E)-hexa-2,4-dienoic acid allyl ester;2-Propenyl ester(E,E)-2,4-Hexadienoic acid;2-Propenyl ester(2E,4E)-2,4-Hexadienoic acid;2,4-Hexadienoic acid, (E,E)-, 2-propenyl ester;2-Propen-1-yl ester(2E,4E)-2,4-Hexadienoic acid;J-500787;Q27258625

Chemical Property of Allyl sorbate

Chemical Property:

• Boiling Point: 208.7 °C at 760 mmHg
• Flash Point: 92.7 °C
• PSA: 26.30000
• Density: 0.934 g/cm³
• LogP: 1.84790
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC=CC(=O)OCC=C
• Isomeric SMILES: C/C=C/C=C/C(=O)OCC=C
• Uses: Allyl Sorbate is a synthetic flavoring agent that is a colorless to light yellow liquid of sharp fruity odor. it is subject to polymerization and should be stored in glass or tin containers. it is used in pineapple and other fruit flavors which have application in puddings, candy, and beverages at 1–2 ppm. it is also termed allyl-2,4-hexadienoate.

Technology Process of Allyl sorbate

There total 2 articles about Allyl sorbate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

hexa-2,4-dienoyl chloride (90554-82-8) + allyl alcohol (107-18-6) → Sorbinsaeure-allylester (7493-75-6) + (E)-Hexa-3,5-dienoic acid allyl ester (81838-87-1)

Guidance literature:

With triethylamine; In dichloromethane; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

Reference yield:

→ Sorbinsaeure-allylester (7493-75-6)

Guidance literature:

Sorbinsaeure, Allylalkohol, H2SO4, Kochen, 20h;

upstream raw materials:

hexa-2,4-dienoyl chloride

allyl alcohol

Refernces