4-Nonylbenzoic acid

Base Information

• Chemical Name: 4-Nonylbenzoic acid
• CAS No.: 38289-46-2
• Molecular Formula: C16H24 O2
• Molecular Weight: 248.365
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00191664
• Nikkaji Number: J25.837G
• Wikidata: Q72496634
• Mol file: 38289-46-2.mol

Synonyms:4-nonylbenzoic acid;38289-46-2;4-n-Nonylbenzoic acid;Benzoic acid, 4-nonyl-;BENZOIC ACID, p-NONYL-;BRN 2722200;3-09-00-02623 (Beilstein Handbook Reference);4-Nonylbenzoicacid;4-N-NONYLBENZOICACID;4-nonylbenzenecarboxylic acid;p-Nonylbenzoic acid;SCHEMBL270423;DTXSID00191664;MFCD00627643;STK035991;AKOS000565201;NCGC00335602-01;LS-38050;CS-0320174;FT-0676048;AB01328025-02;12N-227;A873883

Chemical Property of 4-Nonylbenzoic acid

Chemical Property:

• Vapor Pressure: 2.87E-06mmHg at 25°C
• Melting Point: 96-97℃
• Boiling Point: 374.3°C at 760 mmHg
• PKA: 4.35±0.10(Predicted)
• Flash Point: 179.8°C
• PSA: 37.30000
• Density: 0.992g/cm³
• LogP: 4.67790
• Storage Temp.: 2-8°C
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 248.177630004
• Heavy Atom Count: 18
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

4-NonylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC1=CC=C(C=C1)C(=O)O
• Uses: 4-Nonylbenzoic Acid can be used as a bleaching detergent with good perfume fragrance retention.

Technology Process of 4-Nonylbenzoic acid

There total 11 articles about 4-Nonylbenzoic 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%

4-nonylbenzoic acid methyl ester (844656-92-4) → 4-n-Nonylbenzoic acid (38289-46-2)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; for 3h; Reflux;

DOI:10.1039/c6md00365f

Reference yield: 85.0%

4-Bromobenzoic acid (586-76-5) + nonylmagnesium bromide (39691-62-8) → 4-n-Nonylbenzoic acid (38289-46-2)

Guidance literature:

(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; -78 deg C, 10 min, 20 deg C, 3.5 h;

DOI:10.1016/S0022-328X(96)06794-0

Reference yield: 69.0%

2H-pyran-2-one-5-carboxylic acid (500-05-0) + 1-undecene (821-95-4) → 4-n-Nonylbenzoic acid (38289-46-2)

Guidance literature:

With palladium 10% on activated carbon; In 1,3,5-trimethyl-benzene; at 200 ℃; regioselective reaction;

DOI:10.1039/c1gc15650k

upstream raw materials:

carbamic chloride

n-nonylbenzene

4-oxo-4-(4-nonyl-phenyl)-trans-crotonic acid

4-(n-nonyl)benzaldehyde

Downstream raw materials:

2-[5-(4'-nonylphenyl)-1,3,4-oxadiazol-2-yl]phenol

bis[2-(2'-hydroxyphenyl)-5-(4''-nonylphenyl)-1,3,4-oxadiazolato]beryllium(II)

2-hydroxy-N'-(4'-nonylbenzoyl)benzohydrazide

4-nonylbenzamide