≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488182809 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182809 |
| Sourires canoniques | CCCCCCOC(=O)C1=CC=CC=C1 |
| IUPAC Name | hexyl benzoate |
| InChIKey | UUGLJVMIFJNVFH-UHFFFAOYSA-N |
| INCHI | 1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
| Isomères SMILES | CCCCCCOC(=O)C1=CC=CC=C1 |
| RTECS | DH1490000 |
| Poids moléculaire | 206.29 |
| Beilstein | 9(3)398 |
| Reaxy-Rn | 2048117 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048117&ln= |
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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Benzoyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Article |
|---|---|---|---|
 D23031063 | Certificate of Analysis | Sep 22, 2026 | H134723 |
| D23031072 | Certificate of Analysis | Sep 22, 2026 | H134723 |
| D23031077 | Certificate of Analysis | Sep 22, 2026 | H134723 |
| D2303950 | Certificate of Analysis | Sep 22, 2026 | H134723 |
| L2416715 | Certificate of Analysis | Sep 21, 2026 | H134723 |
| A2622118 | Certificate of Analysis | Jul 10, 2024 | H134723 |
| L2416716 | Certificate of Analysis | Jul 10, 2024 | H134723 |
| A1705037 | Certificate of Analysis | Jun 12, 2024 | H134723 |
| Solubilité | Insoluble in water; Soluble in Alcohol,Acetone |
|---|---|
| Indice de réfraction | 1.49 |
| Point d'éclair (°F) | 148°C(lit.) |
| Point d'éclair (°C) | 148°C(lit.) |
| Point d'ébullition (°C) | 272 °C |
| Poids moléculaire | 206.280 g/mol |
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 206.131 Da |
| Monoisotopic Mass | 206.131 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 171.000 |
| 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 | 1 |
