3-Butylbenzoic acid

Base Information

Chemical Name:3-Butylbenzoic acid
CAS No.:20651-72-3
Molecular Formula:C11H14O2
Molecular Weight:178.231
Hs Code.:
DSSTox Substance ID:DTXSID00526710
Nikkaji Number:J162.997B
Wikidata:Q82395441

Synonyms:3-butylbenzoic acid;20651-72-3;3-n-Butylbenzoic acid;Benzoic acid, 3-butyl-;m-butylbenzoic acid;3-n-Butylbenzoicacid;SCHEMBL3387825;DTXSID00526710;BDLOUJHJYJKMON-UHFFFAOYSA-N;AKOS026672061;BS-50399;CS-0297416;D85937;EN300-768213

Suppliers and Price of 3-Butylbenzoic 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

Total 20 raw suppliers

Chemical Property of 3-Butylbenzoic acid

Chemical Property:

Vapor Pressure:0.000318mmHg at 25°C
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:178.099379685
Heavy Atom Count:13
Complexity:166

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1=CC(=CC=C1)C(=O)O

Technology Process of 3-Butylbenzoic acid

There total 7 articles about 3-Butylbenzoic 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: 90.0%

: 20651-70-1
methyl 3-butylbenzoate

: 20651-72-3
3-n-butylbenzoic acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; methanol; water; for 5h; Reflux;
DOI:10.1021/acs.jmedchem.0c01564

Reference yield:

: 20651-72-3
3-n-butylbenzoic acid

Guidance literature:: With nickel; sodium carbonate;
DOI:10.1021/ja01101a037

Reference yield:

: methyl 3-(but-1-en-1-yl)benzoate

: 20651-72-3
3-n-butylbenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogen; palladium 10% on activated carbon / methanol / 5 h / 20 °C

2: sodium hydroxide / methanol; water; tetrahydrofuran / 5 h / Reflux

With palladium 10% on activated carbon; hydrogen; sodium hydroxide; In tetrahydrofuran; methanol; water;
DOI:10.1021/acs.jmedchem.0c01564