4-Decylbenzoic acid

Base Information

Chemical Name:4-Decylbenzoic acid
CAS No.:38300-04-8
Molecular Formula:C17H26O2
Molecular Weight:262.392
Hs Code.:2916399090
ChEMBL ID:CHEMBL3273771
DSSTox Substance ID:DTXSID50494152
Nikkaji Number:J25.153D
Wikidata:Q72461716
Mol file:38300-04-8.mol

Synonyms:4-DECYLBENZOIC ACID;38300-04-8;4-N-DECYLBENZOIC ACID;4-Decylbenzoicacid;p-decylbenzoic acid;SCHEMBL980560;CHEMBL3273771;DTXSID50494152;RTRTWCIWPQFYDU-UHFFFAOYSA-N;MFCD02262172;AKOS015839884;FT-0675982

Suppliers and Price of 4-Decylbenzoic 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-DecylbenzoicAcid
100mg
$ 60.00

TRC
4-DecylbenzoicAcid
50mg
$ 45.00

Matrix Scientific
4-Decylbenzoic acid
25g
$ 1450.00

Matrix Scientific
4-Decylbenzoic acid
5g
$ 395.00

Crysdot
4-Decylbenzoicacid 95+%
1g
$ 554.00

American Custom Chemicals Corporation
4-N-DECYLBENZOIC ACID 99.00%
25G
$ 1406.79

American Custom Chemicals Corporation
4-N-DECYLBENZOIC ACID 99.00%
5G
$ 867.12

Alichem
4-Decylbenzoicacid
1g
$ 582.40

Total 17 raw suppliers

Chemical Property of 4-Decylbenzoic acid

Chemical Property:

Vapor Pressure:9.83E-07mmHg at 25°C
Melting Point:96-97℃ (hexane )
Boiling Point:388.6oC at 760 mmHg
PKA:4.35±0.10(Predicted)
Flash Point:186.8oC
PSA：37.30000
Density:0.983g/cm3
LogP:5.06800
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:7.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:10
Exact Mass:262.193280068
Heavy Atom Count:19
Complexity:229

Purity/Quality:

97% ^*data from raw suppliers

4-DecylbenzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCC1=CC=C(C=C1)C(=O)O

Technology Process of 4-Decylbenzoic acid

There total 12 articles about 4-Decylbenzoic 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: 97.0%

: 52062-92-7
4-(2-bromoethyl)benzoic acid

: 38841-98-4
n-octylmagnesium chloride

: 38300-04-8
4-decylbenzoic acid

Guidance literature:: 4-(2-bromoethyl)benzoic acid; With 1-methyl-pyrrolidin-2-one; tert-butylmagnesium chloride; In tetrahydrofuran; at -78 ℃; for 0.166667h; Inert atmosphere;

n-octylmagnesium chloride; With buta-1,3-diene; nickel dichloride; In tetrahydrofuran; for 1h; under 760.051 Torr; Inert atmosphere; Cooling with ice;
DOI:10.1002/chem.201204222

Reference yield:

: 106-37-6
1.4-dibromobenzene

: 38300-04-8
4-decylbenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: [PdCl₂(dppf)] / tetrahydrofuran; diethyl ether

2: tBuLi / diethyl ether / -78 °C

With tert.-butyl lithium; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; diethyl ether; 1: Alkylation / 2: Metallation / 2: Carboxylation;
DOI:10.1002/(SICI)1521-3773(20000218)39:4<758::AID-ANIE758>3.0.CO;2-V

Reference yield:

: 17049-50-2
n-decyl magnesium bromide

: 38300-04-8
4-decylbenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: [PdCl₂(dppf)] / tetrahydrofuran; diethyl ether

2: tBuLi / diethyl ether / -78 °C

With tert.-butyl lithium; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; diethyl ether; 1: Alkylation / 2: Metallation / 2: Carboxylation;
DOI:10.1002/(SICI)1521-3773(20000218)39:4<758::AID-ANIE758>3.0.CO;2-V