≥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 | 488182593 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182593 |
| Canonical Smiles | CC(C)(COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2 |
| IUPAC Name | (3-benzoyloxy-2,2-dimethylpropyl) benzoate |
| InChIKey | DYJIIMFHSZKBDY-UHFFFAOYSA-N |
| INCHI | 1S/C19H20O4/c1-19(2,13-22-17(20)15-9-5-3-6-10-15)14-23-18(21)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3 |
| Isomeric SMILES | CC(C)(COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2 |
| Molecular Weight | 312.37 |
| Reaxy-Rn | 2132601 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2132601&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 Dicarboxylic acids and derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Benzoyl - Dicarboxylic acid or derivatives - 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 |
|---|---|---|---|
 A23311168 | Certificate of Analysis | Feb 03, 2023 | N159678 |
| A23311184 | Certificate of Analysis | Feb 03, 2023 | N159678 |
| A23311194 | Certificate of Analysis | Feb 03, 2023 | N159678 |
| A23311207 | Certificate of Analysis | Feb 03, 2023 | N159678 |
| A23311219 | Certificate of Analysis | Feb 03, 2023 | N159678 |
| A23311253 | Certificate of Analysis | Feb 03, 2023 | N159678 |
| Solubility | Soluble in Methanol |
|---|---|
| Boil Point(°C) | 271°C/40mmHg |
| Melt Point(°C) | 49 °C |
| Molecular Weight | 312.400 g/mol |
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 312.136 Da |
| Monoisotopic Mass | 312.136 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 354.000 |
| 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 |
