Benzyl decanoate

Base Information

• Chemical Name: Benzyl decanoate
• CAS No.: 42175-41-7
• Molecular Formula: C17H26O2
• Molecular Weight: 262.392
• Hs Code.: 2915900090
• European Community (EC) Number: 255-696-0
• UNII: KN1422OA5J
• DSSTox Substance ID: DTXSID20194995
• Nikkaji Number: J161.150J
• Wikidata: Q27894843
• Mol file: 42175-41-7.mol

Synonyms:Benzyl decanoate;benzyl caprate;42175-41-7;Decanoic acid, phenylmethyl ester;KN1422OA5J;EINECS 255-696-0;benzyldecanoate;Benzyl decanoate #;starbld0032588;Capric acid benzyl ester;UNII-KN1422OA5J;AO-548/40001934;SCHEMBL6834887;DTXSID20194995;AKOS040750779;Q27894843

Chemical Property of Benzyl decanoate

Chemical Property:

• Vapor Pressure: 6.46E-05mmHg at 25°C
• Refractive Index: 1.489
• Boiling Point: 344.7 °C at 760 mmHg
• Flash Point: 109.5 °C
• PSA: 26.30000
• Density: 0.956 g/cm³
• LogP: 4.87050
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 262.193280068
• Heavy Atom Count: 19
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

BENZYL DECANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)OCC1=CC=CC=C1

Technology Process of Benzyl decanoate

There total 13 articles about Benzyl decanoate 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: 96.0%

Methyl decanoate (110-42-9) + benzyl alcohol (100-51-6,185532-71-2) → benzyl decanoate (42175-41-7)

Guidance literature:

With 1,3-bis(3,5-bis(trifluoro-ethyl)phenyl)thiourea; 4-pyrrolidin-1-ylpyridine; In n-heptane; for 24h; Reflux;

DOI:10.1021/ol8005979

Reference yield: 78.0%

n-decanoyl chloride (112-13-0) + benzyl alcohol (100-51-6,185532-71-2) → benzyl decanoate (42175-41-7)

Guidance literature:

With triethylamine; In dichloromethane; for 0.5h; Reflux;

DOI:10.1002/ejoc.201600714

Reference yield: 74.0%

1-decanoic acid (334-48-5) + benzyl alcohol (100-51-6,185532-71-2) → bis(benzyloxy)methane (2749-70-4) + benzyl decanoate (42175-41-7)

Guidance literature:

With carbon tetrabromide; at 65 ℃; for 48h;

upstream raw materials:

N,N'-dimethylbenzylamine

1-decanoic acid

benzyl alcohol

Methyl decanoate

Downstream raw materials:

1-decanoic acid

Tris(2,4-dibromophenyl)amine

benzaldehyde

Refernces

• 1、 Henry, Cyril,Bolien, David,Ibanescu, Bogdan,Bloodworth, Sally,Harrowven, David C.,Zhang, Xunli,Craven, Andy,Sneddon, Helen F.,Whitby, Richard J.. "Generation and trapping of ketenes in flow". . p. 1491 - 1499. Retrieved 2015/03/04.
• 2、 Kumar, Ashwani,Singh, Surender,Jain, Sandeep,Kumar, Parvin. "Synthesis, antimicrobial evaluation, QSAR and in silico ADMET studies of decanoic acid derivatives". experimental part. p. 191 - 204. Retrieved 2011/10/09.