(E)-2-Hexenyl hexanoate

Base Information

• Chemical Name: (E)-2-Hexenyl hexanoate
• CAS No.: 53398-86-0
• Molecular Formula: C12H22O2
• Molecular Weight: 198.305
• Hs Code.: 2915900090
• European Community (EC) Number: 258-519-5
• UNII: CF5RIO6PQE
• DSSTox Substance ID: DTXSID50886053
• Nikkaji Number: J118.167J,J102.207E
• Metabolomics Workbench ID: 4232
• Mol file: 53398-86-0.mol

Synonyms:trans-2-Hexenyl Hexanoate;53398-86-0;(E)-2-Hexenyl hexanoate;trans-2-Hexenyl caproate;[(E)-hex-2-enyl] hexanoate;2-Hexenyl hexanoate;Hexanoic acid, 2-hexenyl ester, (E)-;Hexanoic acid, (2E)-2-hexen-1-yl ester;(2E)-2-Hexenyl hexanoate;Hexanoic acid, (2E)-2-hexenyl ester;2-Hexenyl hexanoate, (2E)-;TRANS-2-HEXENYLHEXANOATE;CF5RIO6PQE;UNII-CF5RIO6PQE;(E)Hex-2-enyl hexanoate;(E)-Hex-2-enyl hexanoate;trans-2-Hexenyl n-hexanoate;n-Caproic acid trans-2-hexen-1-yl ester;EINECS 258-519-5;AI3-35968;WE(6:1(2E)/6:0);trans-2-Hexenyl caproate (hexanoate);(E)hex - 2 - enyl hexanoate;2-HEXENYL HEXANOATE, TRANS-;T2 Hexenyl Hexanoate;Hex-trans-2-enyl hexanoate;(e)-2-hexenyl n-hexanoate;(E)-2-Hexenyl-N-hexanoate;Caproic acid 2-hexenyl ester;SCHEMBL830241;SCHEMBL830242;(E)-2-hexen-1-yl hexanoate;FEMA NO. 3983;2-Hexenyl hexanoate, AldrichCPR;DTXSID50886053;CHEBI:171834;UQPLEMTXCSYMEK-VQHVLOKHSA-N;2-Hexenyl ester(E)-Hexanoic acid;Hexanoic acid (E)-2-hexenyl ester;Hexanoic Acid trans-2-Hexenyl Ester;LMFA07010587;MFCD00036551;N,N-DI-N-HEXYLETHYLENEDIAMINE;(E)-2-HEXENYL HEXANOATE [FHFI];BS-23868;Q27275429

Chemical Property of (E)-2-Hexenyl hexanoate

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 0.0158mmHg at 25°C
• Refractive Index: 1.444
• Boiling Point: 256 °C at 760 mmHg
• Flash Point: 86.5 °C
• PSA: 26.30000
• Density: 0.886 g/cm³
• LogP: 3.46620
• XLogP3: 3.9
• 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:

98%,99%, ^*data from raw suppliers

trans-2-Hexenyl Hexanoate >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (E)-2-Hexenyl hexanoate

There total 2 articles about (E)-2-Hexenyl hexanoate 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:

(E)-2-Hexen-1-ol (928-95-0) + hexanoic acid (142-62-1) → (E)-hexanoic acid-2-hexenyl ester (53398-86-0)

Guidance literature:

With rapeseed lipase acetone powder; In hexane; at 40 ℃; for 48h; Enzymatic reaction;

DOI:10.1016/j.molcatb.2010.09.011

Reference yield:

→ (E)-hexanoic acid-2-hexenyl ester (53398-86-0)

Guidance literature:

entspr. Hexenol, Capronsaeure;

upstream raw materials:

(E)-2-Hexen-1-ol

hexanoic acid

Refernces