≥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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2C(=O)OC3CC(CC(C3)(C)C)C |
|---|---|
| IUPAC Name | bis[(1R,5R)-3,3,5-trimethylcyclohexyl] benzene-1,2-dicarboxylate |
| InChIKey | ATHBXDPWCKSOLE-VNTMZGSJSA-N |
| INCHI | 1S/C26H38O4/c1-17-11-19(15-25(3,4)13-17)29-23(27)21-9-7-8-10-22(21)24(28)30-20-12-18(2)14-26(5,6)16-20/h7-10,17-20H,11-16H2,1-6H3/t17-,18-,19+,20+/m0/s1 |
| Isómeros SMILES | C[C@H]1C[C@H](CC(C1)(C)C)OC(=O)C2=CC=CC=C2C(=O)O[C@@H]3C[C@@H](CC(C3)(C)C)C |
| Peso molecular | 414.59 |
| Reaxy-Rn | 3452205 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3452205&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 |
| Clase | 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 |
| Descripción | 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 |
| Punto de fusión (°C) | 93 °C |
|---|---|
| Peso molecular | 414.600 g/mol |
| XLogP3 | 7.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 414.277 Da |
| Monoisotopic Mass | 414.277 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 569.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |
