2-Pentanoylbenzoic acid

Base Information Edit

Chemical Name:2-Pentanoylbenzoic acid
CAS No.:550-37-8
Molecular Formula:C12H14O3
Molecular Weight:206.241
Hs Code.:2918300090
DSSTox Substance ID:DTXSID50415685
Nikkaji Number:J11.557F
Mol file:550-37-8.mol

Synonyms:2-pentanoylbenzoic acid;550-37-8;Ligusticumic acid;o-Valerylbenzoic acid;2-Valerylbenzoic acid;n-Valerophenone-O-carboxylic acid;2-PENTANOYLBENZOICACID;Benzoic acid, o-valeryl-;SCHEMBL4932617;DTXSID50415685;Benzoic acid, 2-(1-oxopentyl)-;2-(alpha-n-pentanonyl)benzoic acid;FT-0725570

Suppliers and Price of 2-Pentanoylbenzoic acid

Supply Marketing:Edit

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

American Custom Chemicals Corporation
2-PENTANOYL BENZOIC ACID 95.00%
5MG
$ 502.04

Total 23 raw suppliers

Chemical Property of 2-Pentanoylbenzoic acid Edit

Chemical Property:

Vapor Pressure:1.29E-05mmHg at 25°C
Refractive Index:1.536
Boiling Point:353.8 °C at 760 mmHg
PKA:3.40±0.36(Predicted)
Flash Point:182 °C
PSA：54.37000
Density:1.126g/cm³
LogP:2.75770
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:206.094294304
Heavy Atom Count:15
Complexity:235

Purity/Quality:

98%Min ^*data from raw suppliers

2-PENTANOYL BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCC(=O)C1=CC=CC=C1C(=O)O
Uses Ligusticumic acid is used in the synthesis of N-butylphthalide which alleviates blood-brain barrier impairment in rats exposed to carbon monoxide.

Technology Process of 2-Pentanoylbenzoic acid

There total 16 articles about 2-Pentanoylbenzoic 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: 91.0%

: 72917-31-8
(Z)-3-(1-butylidene)phthalide

: 550-37-8
2-pentanoylbenzoic acid

Guidance literature:: (Z)-3-(1-butylidene)phthalide; With methanol; sodium hydroxide; water; for 8h; Heating / reflux;

With hydrogenchloride; In water; pH=2 - 3;