10-Undecenoic acid, pentyl ester

Base Information

• Chemical Name: 10-Undecenoic acid, pentyl ester
• CAS No.: 18451-96-2
• Molecular Formula: C16H30 O2
• Molecular Weight: 254.413
• Hs Code.: 2916190090
• European Community (EC) Number: 242-337-8
• DSSTox Substance ID: DTXSID0066379
• Nikkaji Number: J266.187J
• Wikidata: Q81992977
• Mol file: 18451-96-2.mol

Synonyms:10-Undecenoic acid, pentyl ester;Pentyl undec-10-enoate;Amyl undecylenate;18451-96-2;EINECS 242-337-8;Pentyl 10-undecenoate;SCHEMBL3111400;DTXSID0066379;10-UNDECENOIC ACID PENTYL ESTER

Chemical Property of 10-Undecenoic acid, pentyl ester

Chemical Property:

• Vapor Pressure: 0.000357mmHg at 25°C
• Boiling Point: 318.6°Cat760mmHg
• Flash Point: 136.9°C
• PSA: 26.30000
• Density: 0.873g/cm³
• LogP: 5.02660
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 254.224580195
• Heavy Atom Count: 18
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC(=O)CCCCCCCCC=C

Technology Process of 10-Undecenoic acid, pentyl ester

There total 2 articles about 10-Undecenoic acid, pentyl ester 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: 54.0%

pentan-1-ol (71-41-0) + 10-undecenoic acid (112-38-9) → undecylenic acid (112-37-8) + 1-pentyl undecanoate (18451-96-2)

Guidance literature:

With sol-gel immobilized lipase; sol-gel immobilized RhCl(PPh₃)3; hydrogen; In hexane; at 60 ℃; for 24h; under 10640.7 Torr; Further Variations:; Reagents; Reaction partners; Product distribution;

DOI:10.1021/ja020799+

Reference yield:

pentan-1-ol (71-41-0) + 10-undecenoic acid (112-38-9) → 1-pentyl undecanoate (18451-96-2)

Guidance literature:

With sulfuric acid;

DOI:10.1007/BF00906006

upstream raw materials:

pentan-1-ol

10-undecenoic acid

Refernces