Ethyl trans-4-decenoate

Base Information

• Chemical Name: Ethyl trans-4-decenoate
• CAS No.: 76649-16-6
• Molecular Formula: C12H22 O2
• Molecular Weight: 198.305
• Hs Code.: 29171900
• European Community (EC) Number: 278-509-4
• UNII: 3I89X5937N
• DSSTox Substance ID: DTXSID90888516
• Nikkaji Number: J208.443K
• Wikidata: Q27257252
• Metabolomics Workbench ID: 48466
• Mol file: 76649-16-6.mol

Synonyms:Ethyl trans-4-decenoate;76649-16-6;Ethyl (E)-4-decenoate;ethyl (E)-dec-4-enoate;ethyl 4-decenoate;4-Decenoic acid, ethyl ester, (E)-;FEMA No. 3642;4-Decenoic acid, ethyl ester, (4E)-;Ethyl4-Decenoate;Ethyl 4-decenoate, (4E)-;Ethyl 4E-decenoate;ETHYL (4E)-DEC-4-ENOATE;EINECS 278-509-4;Ethyl trans-dec-4-enoate;(E)-ethyl dec-4-enoate;Ethyl (4E)-4-decenoate;UNII-3I89X5937N;trans-4-Decenoic Acid Ethyl Ester;3I89X5937N;26825-88-7;(4E)-ethyl 4-decenoate;4-Decenoic acid, ethyl ester;SCHEMBL673411;Ethyl ester(E)-4-Decenoic acid;FEMA 3642;trans-Obtusilic Acid Ethyl Ester;DTXSID90888516;(E)-4-Decenoic acid ethyl ester;CHEBI:169182;Ethyl ester(4E)-4-Decenoic acid;BDA64916;Ethyl trans-4-decenoate, AldrichCPR;LMFA07010868;MFCD00015574;AKOS015839550;HY-W127583;LS-2722;ETHYL TRANS-4-DECENOATE [FHFI];CS-0185804;D1931;Q27257252

Chemical Property of Ethyl trans-4-decenoate

Chemical Property:

• Vapor Pressure: 0.0465mmHg at 25°C
• Refractive Index: 1.4370
• Boiling Point: 236.8oC at 760 mmHg
• Flash Point: 110oC
• PSA: 26.30000
• Density: 0.88
• LogP: 3.46620
• Water Solubility.: Insoluble in water
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Ethyl trans-4-Decenoate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCCC(=O)OCC
• Isomeric SMILES: CCCCC/C=C/CCC(=O)OCC

Technology Process of Ethyl trans-4-decenoate

There total 9 articles about Ethyl trans-4-decenoate 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: 99.9%

1-octen-3-ol (3391-86-4) + Triethyl orthoacetate (78-39-7) → ethyl trans-4-decenoate (76649-16-6)

Guidance literature:

With propionic acid; at 150 ℃; for 3h; Temperature;

Reference yield: 98.0%

1-octen-3-ol (3391-86-4) + propionic acid (802294-64-0,79-09-4) + Triethyl orthoacetate (78-39-7) → ethyl trans-4-decenoate (76649-16-6)

Guidance literature:

120 deg C, then 160 deg C, 2 h;

DOI:10.1016/0040-4020(95)00319-4

Reference yield: 4.0%

1-Heptene (592-76-7) → dodec-6-ene (29493-00-3) + ethene (74-85-1) + ethyl trans-4-decenoate (76649-16-6) + 1,2-Bis-(ethoxycarbonyl)-hex-4-en (14277-17-9)

Guidance literature:

With 1,1,3,3-tetramethyl-1,3-disiletane; 4-heptenoic acid; tungsten(VI) chloride; In benzene; at 80 - 82 ℃; for 10h;

DOI:10.1007/BF00953372

upstream raw materials:

1-Heptene

ethyl 4-pentenoate

ethyl bromide

(E)-dec-4-enoyl chloride

Downstream raw materials:

(E)-4-decenoic acid

(E)-4-decen-1-ol

1-Decanol

C₂₅H₄₂BrNO₂S