≥95% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180166 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180166 |
| Canonical Smiles | CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC |
| IUPAC Name | 2-O-(2-butoxy-2-oxoethyl) 1-O-butyl benzene-1,2-dicarboxylate |
| InChIKey | GOJCZVPJCKEBQV-UHFFFAOYSA-N |
| INCHI | 1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3 |
| Isomeric SMILES | CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC |
| RTECS | TI0535000 |
| Molecular Weight | 336.38 |
| Reaxy-Rn | 2007363 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2007363&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 |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Tricarboxylic acids and derivatives Benzoyl derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Tricarboxylic acid or derivatives - Benzoyl - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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 | Item |
|---|---|---|---|
 H2318192 | Certificate of Analysis | Aug 16, 2023 | B152085 |
| H2328191 | Certificate of Analysis | Aug 16, 2023 | B152085 |
| H2328193 | Certificate of Analysis | Aug 16, 2023 | B152085 |
| H2328194 | Certificate of Analysis | Aug 16, 2023 | B152085 |
| Solubility | Insoluble in water |
|---|---|
| Refractive Index | 1.49 |
| Flash Point(°C) | 199°C(lit.) |
| Boil Point(°C) | 219 °C/5 mmHg |
| Molecular Weight | 336.400 g/mol |
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 13 |
| Exact Mass | 336.157 Da |
| Monoisotopic Mass | 336.157 Da |
| Topological Polar Surface Area | 78.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 406.000 |
| 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 |
