Benzoic acid, 4-pentyl-, methyl ester

Base Information

Chemical Name:Benzoic acid, 4-pentyl-, methyl ester
CAS No.:26311-44-4
Molecular Formula:C13H18 O2
Molecular Weight:206.285
Hs Code.:
European Community (EC) Number:247-606-3
DSSTox Substance ID:DTXSID4067199
Nikkaji Number:J47.481I
Wikidata:Q63399551
Mol file:26311-44-4.mol

Synonyms:Methyl p-pentylbenzoate;Benzoic acid, 4-pentyl-, methyl ester;26311-44-4;EINECS 247-606-3;methyl 4-pentylbenzoate;SCHEMBL8044139;DTXSID4067199;4-Pentylbenzoic acid methyl ester;4-N-AMYLBENZOIC ACID METHYL ESTER;Q63399551

Suppliers and Price of Benzoic acid, 4-pentyl-, 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 5 raw suppliers

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

Chemical Property:

Vapor Pressure:0.00192mmHg at 25°C
Boiling Point:291.7°Cat760mmHg
Flash Point:129.6°C
Density:0.983g/cm³
XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:206.130679813
Heavy Atom Count:15
Complexity:181

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC1=CC=C(C=C1)C(=O)OC

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

There total 11 articles about Benzoic acid, 4-pentyl-, 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: 92.0%

: 67-56-1
methanol

: 26311-45-5
4-pentylbenzoic acid

: 26311-44-4
methyl 4-pentylbenzoate

Guidance literature:: With acetyl chloride; at 0 - 23 ℃; Inert atmosphere;
DOI:10.1021/jacs.8b07534

Reference yield: 64.0%

: 67-56-1
methanol

: 79887-10-8
1-ethynyl-4-(n-pentyl)benzene

: 26311-44-4
methyl 4-pentylbenzoate

Guidance literature:: With bis-[(trifluoroacetoxy)iodo]benzene; at 60 ℃; for 15h; Sealed tube;
DOI:10.1021/jo5003517

Reference yield: 51.0%

: 308796-10-3
(1-pentyl)zinc(II) bromide

: 341936-49-0
methyl 4-[(2,2-dimethylpropanoyl)oxy]benzoate

: 26311-44-4
methyl 4-pentylbenzoate

Guidance literature:: With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; 1,2-bis-(dicyclohexylphosphino)ethane; In tetrahydrofuran; di-isopropyl ether; at 110 ℃; for 18h; Sealed tube;
DOI:10.1021/acscatal.7b00941