≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Tetrabutylammonium benzoate may be used as an analytical reagent for the electrochemical generation of hydrogen from acetic acid using a molecular molybdenum-oxo catalyst.
| Canonical Smiles | CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)C(=O)[O-] |
|---|---|
| IUPAC Name | tetrabutylazanium;benzoate |
| InChIKey | WGYONVRJGWHMKV-UHFFFAOYSA-M |
| INCHI | 1S/C16H36N.C7H6O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-7(9)6-4-2-1-3-5-6/h5-16H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1 |
| Isomeric SMILES | CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)C(=O)[O-] |
| WGK Germany | 3 |
| PubChem CID | 10981353 |
| Molecular Weight | 363.58 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acids |
| Alternative Parents | Benzoyl derivatives Tetraalkylammonium salts Carboxylic acid salts Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines Organic cations |
| Molecular Framework | Not available |
| Substituents | Benzoic acid - Benzoyl - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2412785 | Certificate of Analysis | Sep 30, 2024 | T306003 |
| J2412786 | Certificate of Analysis | Sep 30, 2024 | T306003 |
| J2412787 | Certificate of Analysis | Sep 30, 2024 | T306003 |
| J2412788 | Certificate of Analysis | Sep 30, 2024 | T306003 |
| J2412789 | Certificate of Analysis | Sep 30, 2024 | T306003 |
| Solubility | acetonitrile: 0.1 g/mL, clear, colorless |
|---|---|
| Sensitivity | Hygroscopic |
| Melt Point(°C) | 64-67 °C (lit.) |
| Molecular Weight | 363.600 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 12 |
| Exact Mass | 363.314 Da |
| Monoisotopic Mass | 363.314 Da |
| Topological Polar Surface Area | 40.100 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 214.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
