4-Acetylbenzoic acid

Base Information

Chemical Name:4-Acetylbenzoic acid
CAS No.:586-89-0
Molecular Formula:C9H8O3
Molecular Weight:164.161
Hs Code.:29183000
European Community (EC) Number:209-588-5
NSC Number:16644
DSSTox Substance ID:DTXSID30207323
Nikkaji Number:J95.014I
Wikidata:Q72434808
Metabolomics Workbench ID:123279
ChEMBL ID:CHEMBL130010
Mol file:586-89-0.mol

Synonyms:4-acetylbenzoic acid

Suppliers and Price of 4-Acetylbenzoic 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

Acrotein
4-Acetylbenzoic acid 97%
250g
$ 233.57

AK Scientific
4-Acetylbenzoic acid
100g
$ 131.00

AK Scientific
4-Acetylbenzoic acid
5g
$ 14.00

AK Scientific
4-Acetylbenzoic acid
25g
$ 47.00

AK Scientific
4-Acetylbenzoic acid
5g
$ 57.20

Alfa Aesar
4-Acetylbenzoic acid, 98+%
1g
$ 33.20

Alfa Aesar
4-Acetylbenzoic acid, 98+%
5g
$ 115.00

Alfa Aesar
4-Acetylbenzoic acid, 98+%
25g
$ 424.00

Alichem
4-Acetylbenzoic acid
500g
$ 395.20

American Custom Chemicals Corporation
4-ACETYLBENZOIC ACID 95.00%
2.5G
$ 852.21

Total 114 raw suppliers

Chemical Property of 4-Acetylbenzoic acid

Chemical Property:

Appearance/Colour:white to light yellow crystal powder
Vapor Pressure:3.45E-05mmHg at 25°C
Melting Point:208-210 °C(lit.)
Refractive Index:1.5380 (estimate)
Boiling Point:339.9 °C at 760 mmHg
PKA:pK1: 3.70 (25°C)
Flash Point:173.6 °C
PSA：54.37000
Density:1.229 g/cm³
LogP:1.58740
Storage Temp.:Store below +30°C.
Solubility.:DMSO (Slightly), Methanol (Slightly)
Water Solubility.:soluble
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:164.047344113
Heavy Atom Count:12
Complexity:190

Purity/Quality:

98% ^*data from raw suppliers

4-Acetylbenzoic acid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38-37/38-36
Safety Statements: 37/39-26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(=O)C1=CC=C(C=C1)C(=O)O
Uses 4-Acetylbenzoic Acid is an intermediate used to prepare Curcumin Analogs with anti-oxidant activities. It is also used in the synthesis of quinuclidine benzamides as agonists of α7 nicotinic acetylcholine receptors. 4-Acetylbenzoic acid was used in the preparation of an ester-derivative of paclitaxel.

Technology Process of 4-Acetylbenzoic acid

There total 101 articles about 4-Acetylbenzoic 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: 100.0%

: 119838-69-6
p-(Benzyloxycarbonyl)acetophenone

: 586-89-0
4-acetyl-benzoic acid

Guidance literature:: With hydrogen; In ethyl acetate; at 60 ℃; for 7h;

Reference yield: 99.0%

: 3457-45-2
p-formylacetophenone

: 586-89-0
4-acetyl-benzoic acid

Guidance literature:: With copper acetylacetonate; oxygen; sodium hydroxide; 1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene; In water; at 50 ℃; for 12h; under 760.051 Torr; Sealed tube;
DOI:10.1002/anie.201604847

Reference yield: 99.0%

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

: 460088-33-9
1-(4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl)ethan-1-one

: 586-89-0
4-acetyl-benzoic acid

Guidance literature:: carbon dioxide; 1-(4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl)ethan-1-one; With copper(l) iodide; 5,5-bis(4,5-dihydrooxazol-2-yl)nonane; cesium fluoride; In N,N-dimethyl-formamide; at 90 ℃; for 10h; under 760.051 Torr;

With hydrogenchloride; water; In N,N-dimethyl-formamide;
DOI:10.1021/ol800829q