4-Chlorobenzyl hexanoate

Base Information

Chemical Name:4-Chlorobenzyl hexanoate
CAS No.:30692-70-7
Molecular Formula:C₁₃H₁₇ClO₂
Molecular Weight:240.73
Hs Code.:
NSC Number:53766
DSSTox Substance ID:DTXSID80287993
Nikkaji Number:J3.374.604K
Wikidata:Q82024237
Mol file:30692-70-7.mol

Synonyms:30692-70-7;4-Chlorobenzyl hexanoate;4-Chlorobenzyl hexanoate #;DTXSID80287993;QZFQNKCPEWCYII-UHFFFAOYSA-N;NSC53766;Hexanoic acid, 4-chlorobenzyl ester;NSC-53766

Suppliers and Price of 4-Chlorobenzyl hexanoate

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 4-Chlorobenzyl hexanoate

Chemical Property:

Vapor Pressure:0.000725mmHg at 25°C
Boiling Point:307.4°Cat760mmHg
Flash Point:144°C
Density:1.093g/cm³
XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:240.0917075
Heavy Atom Count:16
Complexity:198

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC(=O)OCC1=CC=C(C=C1)Cl

Technology Process of 4-Chlorobenzyl hexanoate

There total 3 articles about 4-Chlorobenzyl hexanoate 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%

: 4-chlorobenzyl (2E,4E)-hexa-2,4-dienoate

: 30692-70-7
4-chlorobenzyl hexanoate

Guidance literature:: With (η⁵-C₅Me₅)Rh(ppy)H; hydrogen; In methanol; at 20 ℃; for 24h; under 4137.29 Torr;
DOI:10.1021/jacs.1c04683

Reference yield: 83.0%

: 628-02-4
Caproamide

: 873-76-7
para-Chlorobenzyl alcohol

: 30692-70-7
4-chlorobenzyl hexanoate

Guidance literature:: With scandium tris(trifluoromethanesulfonate); In n-heptane; at 100 ℃; for 24h;
DOI:10.1016/j.tetlet.2014.10.124

Reference yield: 82.0%

: 873-76-7
para-Chlorobenzyl alcohol

: 142-62-1
hexanoic acid

: 30692-70-7
4-chlorobenzyl hexanoate

Guidance literature:: With di-isopropyl azodicarboxylate; phenylsilane; oxygen; triphenylphosphine; 3-methyl-2',3',4',5'-tetraacetylriboflavin; In acetonitrile; at 50 ℃; for 24h; under 760.051 Torr; Reagent/catalyst; Temperature; Molecular sieve; Irradiation;
DOI:10.1039/c6ob02770a