Benzoic acid, 4-hexyl-, methyl ester

Base Information

Chemical Name:Benzoic acid, 4-hexyl-, methyl ester
CAS No.:38409-63-1
Molecular Formula:C14H20O2
Molecular Weight:220.312
Hs Code.:2916399090
DSSTox Substance ID:DTXSID8068094
Nikkaji Number:J422.390J
Wikidata:Q81994799
ChEMBL ID:CHEMBL4098248
Mol file:38409-63-1.mol

Synonyms:38409-63-1;Benzoic acid, 4-hexyl-, methyl ester;Methyl p-hexylbenzoate;4-Hexylbenzoic acid methyl ester;Methyl 4-hexylbenzoate #;SCHEMBL6024028;CHEMBL4098248;DTXSID8068094;FT-0744924

Suppliers and Price of Benzoic acid, 4-hexyl-, methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of Benzoic acid, 4-hexyl-, methyl ester

Chemical Property:

Vapor Pressure:0.000677mmHg at 25°C
Boiling Point:308.5°Cat760mmHg
Flash Point:130.9°C
PSA：26.30000
Density:0.974g/cm³
LogP:3.59600
XLogP3:5.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:220.146329876
Heavy Atom Count:16
Complexity:193

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCC1=CC=C(C=C1)C(=O)OC

Technology Process of Benzoic acid, 4-hexyl-, methyl ester

There total 18 articles about Benzoic acid, 4-hexyl-, methyl 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: 99.0%

: 1126-46-1
Methyl 4-chlorobenzoate

: 44767-62-6
n-hexylmagnesium chloride

: 38409-63-1
4-hexylbenzoic acid methyl ester

Guidance literature:: With iron(III) chloride; ethanol; isopropylmagnesium chloride; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere; Green chemistry;
DOI:10.1021/acs.orglett.9b00665

Reference yield: 94.0%

: 67-56-1
methanol

: 21643-38-9
4-hexylbenzoic acid

: 38409-63-1
4-hexylbenzoic acid methyl ester

Guidance literature:: With sulfuric acid; Reflux;
DOI:10.1039/c6md00365f

Reference yield: 93.0%

: 17763-71-2
4-carbomethoxyphenyl triflate

: 3761-92-0
n-hexylmagnesium bromide

: 38409-63-1
4-hexylbenzoic acid methyl ester

Guidance literature:: 4-carbomethoxyphenyl triflate; n-hexylmagnesium bromide; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; diethyl ether; for 0.0833333h;

With water; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; diethyl ether; Product distribution / selectivity;