4-Ethylbenzoic acid

Base Information

Chemical Name:4-Ethylbenzoic acid
CAS No.:619-64-7
Molecular Formula:C9H10O2
Molecular Weight:150.177
Hs Code.:29163900
European Community (EC) Number:210-605-3
NSC Number:59888
UNII:9TKM8P0G6R
DSSTox Substance ID:DTXSID3073212
Nikkaji Number:J1.670E
Wikidata:Q27162300
Metabolomics Workbench ID:38019
ChEMBL ID:CHEMBL100768
Mol file:619-64-7.mol

Synonyms:4-ethylbenzoate;4-ethylbenzoic acid

Suppliers and Price of 4-Ethylbenzoic acid

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

TRC
4-Ethylbenzoic acid
500mg
$ 45.00

TRC
4-Ethylbenzoic acid
5g
$ 75.00

TRC
4-Ethylbenzoic acid
1g
$ 55.00

TCI Chemical
4-Ethylbenzoic Acid >98.0%(GC)(T)
25g
$ 66.00

SynQuest Laboratories
4-Ethylbenzoic acid
100 g
$ 47.00

SynQuest Laboratories
4-Ethylbenzoic acid
250 g
$ 109.00

SynQuest Laboratories
4-Ethylbenzoic acid
25 g
$ 16.00

Sigma-Aldrich
4-Ethylbenzoic acid 99%
5g
$ 30.20

Sigma-Aldrich
4-Ethylbenzoic acid 99%
25g
$ 84.50

Matrix Scientific
4-Ethylbenzoic acid 97%
500g
$ 117.00

Total 97 raw suppliers

Chemical Property of 4-Ethylbenzoic acid

Chemical Property:

Appearance/Colour:white to beige powder
Vapor Pressure:0.00338mmHg at 25°C
Melting Point:112-113 °C(lit.)
Refractive Index:1.5188 (estimate)
Boiling Point:270.3 °C at 760 mmHg
PKA:pK1:4.35 (25°C)
Flash Point:125.1 °C
PSA：37.30000
Density:1.114 g/cm³
LogP:1.94720
Storage Temp.:Store below +30°C.
Solubility.:Chloroform (Sparingly), Methanol (Slightly)
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:150.068079557
Heavy Atom Count:11
Complexity:135

Purity/Quality:

99% ^*data from raw suppliers

4-Ethylbenzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn, Xi
Hazard Codes:Xn,Xi
Statements: 22-36/37
Safety Statements: 22-24/25-37/39-26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=CC=C(C=C1)C(=O)O
Recent ClinicalTrials:Therapeutic Effect of Ethanol-gelfoam Mixture for the Treatment of Arterioportal Shunts (APS) in Patients With HCC
Uses 4-Ethylbenzoic acid was used in the synthesis of ethyl 4-vinyl-α-cyano-β-phenylcinnamate. It was also used to functionalize the edge of “pristine” graphite in the presence of polyphosphoric acid/phosphorus pentoxide. Intermediates of Liquid Crystals

Technology Process of 4-Ethylbenzoic acid

There total 66 articles about 4-Ethylbenzoic acid 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%

: 97-94-9
triethyl borane

: 586-76-5
4-Bromobenzoic acid

: 619-64-7
p-ethylbenzoic acid

Guidance literature:: With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; In tetrahydrofuran; chemoselective reaction; Inert atmosphere; Reflux;
DOI:10.1016/j.tetlet.2009.01.090

Reference yield: 96.4%

: 937-30-4
4-ethylacetophenone

: 619-64-7
p-ethylbenzoic acid

Guidance literature:: With sodium hypochlorite; acetone; at 20 - 32 ℃; for 4.5h; Reagent/catalyst; Temperature;

Reference yield: 95.0%

: 124-38-9,18923-20-1
carbon dioxide

: 63139-21-9
4-ethylphenylboronic acid

: 619-64-7
p-ethylbenzoic acid

Guidance literature:: With chloro[1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene]copper(I); potassium methanolate; In tetrahydrofuran; at 70 ℃; for 24h; Schlenk technique; Sealed tube;