Octadecyl chloroacetate

Base Information

• Chemical Name: Octadecyl chloroacetate
• CAS No.: 5348-82-3
• Molecular Formula: C20H39 Cl O2
• Molecular Weight: 346.981
• Hs Code.: 2915400090
• European Community (EC) Number: 226-308-7
• NSC Number: 46898,1342
• DSSTox Substance ID: DTXSID50201666
• Nikkaji Number: J217.912A
• Wikidata: Q83074866
• Mol file: 5348-82-3.mol

Synonyms:Octadecyl chloroacetate;5348-82-3;Chloroacetic acid, octadecyl ester;EINECS 226-308-7;octadecyl 2-chloroacetate;Octadecyl chloroacetate #;SCHEMBL2232831;DTXSID50201666;NSC1342;2-Chloroacetic acid octadecyl ester;NSC 1342;NSC-1342;NSC46898;NSC 46898;NSC-46898;Acetic acid, chloro-, octadecyl ester

Chemical Property of Octadecyl chloroacetate

Chemical Property:

• Vapor Pressure: 5.18E-06mmHg at 25°C
• Boiling Point: 381.1°Cat760mmHg
• Flash Point: 228.9°C
• PSA: 26.30000
• Density: 0.928g/cm³
• LogP: 7.02990
• XLogP3: 9.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 19
• Exact Mass: 346.2638582
• Heavy Atom Count: 23
• Complexity: 244

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CCl

Technology Process of Octadecyl chloroacetate

There total 3 articles about Octadecyl chloroacetate 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: 84.0%

1-octadecanol (112-92-5) + chloroacetic acid (79-11-8) → octadecyl-2-chloroacetate (5348-82-3)

Guidance literature:

With toluene-4-sulfonic acid; In water; toluene;

DOI:10.1016/j.molliq.2016.05.083

Reference yield:

1-octadecanol (112-92-5) + chloroacetyl chloride (79-04-9) → octadecyl-2-chloroacetate (5348-82-3)

Guidance literature:

With chloroacetic acid;

DOI:10.1021/jo01164a001

Reference yield:

→ octadecyl-2-chloroacetate (5348-82-3)

Guidance literature:

Stearyl alkohol, Monochloressigsaeure / Aethylenchlorid in Ggw. von TsOH, reflux;

upstream raw materials:

1-octadecanol

chloroacetic acid

chloroacetyl chloride