p-Tolyl butyrate

Base Information

Chemical Name:p-Tolyl butyrate
CAS No.:14617-92-6
Molecular Formula:C11H14 O2
Molecular Weight:178.231
Hs Code.:
European Community (EC) Number:238-654-6
NSC Number:53053
DSSTox Substance ID:DTXSID90163279
Nikkaji Number:J102.621F
Wikidata:Q63399379
Mol file:14617-92-6.mol

Synonyms:p-Tolyl butyrate;14617-92-6;(4-methylphenyl) butanoate;p-Cresyl butanoate;p-Cresyl n-butyrate;Butyric acid, p-tolyl ester;Butanoic acid, 4-methylphenyl ester;P-CRESYL BUTYRATE;EINECS 238-654-6;AI3-18342;Para-Cresylbutyrat;4-Methylphenyl butyrate #;SCHEMBL898796;4-METHYLPHENYL BUTANOATE;RRXBRABFDRJAPX-UHFFFAOYSA-;DTXSID90163279;NSC53053;NSC 53053;NSC-53053;AKOS006241576;Q63399379

Suppliers and Price of p-Tolyl butyrate

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 7 raw suppliers

Chemical Property of p-Tolyl butyrate

Chemical Property:

Vapor Pressure:0.0219mmHg at 25°C
Boiling Point:250.2°Cat760mmHg
Flash Point:95.4°C
PSA：26.30000
Density:1.01g/cm³
LogP:2.70050
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:178.099379685
Heavy Atom Count:13
Complexity:158

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(=O)OC1=CC=C(C=C1)C

Technology Process of p-Tolyl butyrate

There total 5 articles about p-Tolyl butyrate 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: 85.0%

: 106-44-5
p-cresol

: 107-92-6
butyric acid

: 14617-92-6
methyl-4-phenyl butyrate

Guidance literature:: With zinc trifluoromethanesulfonate; at 150 ℃; for 6h; Neat (no solvent); Inert atmosphere;
DOI:10.3184/030823409X12511347683523

Reference yield:

: 262373-15-9
4-methyl-2-(trimethylsilyl)phenyl trifluoromethanesulfonate

: 107-92-6
butyric acid

: 24323-47-5
1-(2-hydroxy-5-methylphenyl)butan-1-one

: 7476-80-4
m-tolyl butyrate

: 14617-92-6
methyl-4-phenyl butyrate

Guidance literature:: 4-methyl-2-(trimethylsilyl)phenyl trifluoromethanesulfonate; butyric acid; With sodium hydroxide; In acetonitrile; at 20 ℃; for 0.166667h; Inert atmosphere;

With cesium fluoride; In acetonitrile; at 80 ℃; for 4h; Overall yield = 64 %; chemoselective reaction; Inert atmosphere;
DOI:10.1016/j.tetlet.2015.08.019