≥98% 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 | 488202196 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202196 |
| Canonical Smiles | CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C |
| IUPAC Name | 2-O-(3-methylbutyl) 1-O-pentyl benzene-1,2-dicarboxylate |
| InChIKey | MCXWUHMDAJQKBI-UHFFFAOYSA-N |
| INCHI | 1S/C18H26O4/c1-4-5-8-12-21-17(19)15-9-6-7-10-16(15)18(20)22-13-11-14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3 |
| Isomeric SMILES | CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C |
| Molecular Weight | 306.4 |
| Reaxy-Rn | 30404442 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30404442&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 | Benzoyl derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Benzoyl - Carboxylic acid ester - 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 | Item |
|---|---|---|---|
 E2618035 | Certificate of Analysis | May 27, 2026 | I195025 |
| H2205907 | Certificate of Analysis | Aug 20, 2022 | I195025 |
| H2205908 | Certificate of Analysis | Aug 20, 2022 | I195025 |
| H2205909 | Certificate of Analysis | Aug 20, 2022 | I195025 |
| H2205910 | Certificate of Analysis | Aug 12, 2022 | I195025 |
| H2205911 | Certificate of Analysis | Aug 12, 2022 | I195025 |
| H2205912 | Certificate of Analysis | Aug 12, 2022 | I195025 |
| Molecular Weight | 306.400 g/mol |
|---|---|
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 11 |
| Exact Mass | 306.183 Da |
| Monoisotopic Mass | 306.183 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 338.000 |
| 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 |
