Ethyl undec-10-ynoate

Base Information

• Chemical Name: Ethyl undec-10-ynoate
• CAS No.: 94030-75-8
• Molecular Formula: C13H22 O2
• Molecular Weight: 210.316
• Hs Code.: 2916190090
• European Community (EC) Number: 301-680-4
• UNII: 8UUV99FY4Q
• DSSTox Substance ID: DTXSID30240331
• Nikkaji Number: J349.012B
• Wikidata: Q83123139
• Mol file: 94030-75-8.mol

Synonyms:Ethyl undec-10-ynoate;94030-75-8;EINECS 301-680-4;10-Undecynoic acid ethyl ester;undec-10-ynoic acid ethyl ester;DTXSID30240331

Chemical Property of Ethyl undec-10-ynoate

Chemical Property:

• Vapor Pressure: 0.00682mmHg at 25°C
• Boiling Point: 270.5°Cat760mmHg
• Flash Point: 107.7°C
• PSA: 26.30000
• Density: 0.912g/cm³
• LogP: 3.30350
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 210.161979940
• Heavy Atom Count: 15
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCCCCCC#C

Technology Process of Ethyl undec-10-ynoate

There total 5 articles about Ethyl undec-10-ynoate 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: 72.0%

undec-10-ynoic acid (2777-65-3) + ethanol (64-17-5) → ethyl ester of dodec-11-ynoic acid (94030-75-8)

Guidance literature:

With sulfuric acid; Heating;

DOI:10.1246/bcsj.59.3535

Reference yield:

ethyl iodide (75-03-6) → ethyl ester of dodec-11-ynoic acid (94030-75-8)

Guidance literature:

With ethanol; at 110 ℃;

Reference yield:

Methyl 10-undecenoate (111-81-9) → ethyl ester of dodec-11-ynoic acid (94030-75-8)

Guidance literature:

Multi-step reaction with 3 steps

2: aq. KOH / 0.5 h / Heating

3: 72 percent / concd. H₂SO₄ / Heating

With potassium hydroxide; sulfuric acid;

DOI:10.1246/bcsj.59.3535

upstream raw materials:

undec-10-ynoic acid

ethanol

ethyl iodide

Methyl 10-undecenoate

Downstream raw materials:

undec-10-yn-1-ol

ethyl undecanoate

ethyl 10-undecenenoate

undec-10-yn-1-yl bromide

Refernces