≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 504768806 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768806 |
| Canonical Smiles | CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC |
| IUPAC Name | (4-octoxyphenyl) 4-butylbenzoate |
| InChIKey | DESAJRHSCPKXHK-UHFFFAOYSA-N |
| INCHI | 1S/C25H34O3/c1-3-5-7-8-9-10-20-27-23-16-18-24(19-17-23)28-25(26)22-14-12-21(13-15-22)11-6-4-2/h12-19H,3-11,20H2,1-2H3 |
| Isomeric SMILES | CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC |
| Molecular Weight | 382.54 |
| Reaxy-Rn | 2669900 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2669900&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 | Phenylpropanoids and polyketides |
| Class | Depsides and depsidones |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Depsides and depsidones |
| Alternative Parents | Phenol esters Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Carboxylic acid esters Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Depside backbone - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). |
| 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 |
|---|---|---|---|
 H2406573 | Certificate of Analysis | Mar 23, 2024 | N159146 |
| B2521710 | Certificate of Analysis | Jun 07, 2023 | N159146 |
| F2328784 | Certificate of Analysis | Jun 07, 2023 | N159146 |
| F2328785 | Certificate of Analysis | Jun 07, 2023 | N159146 |
| F2328786 | Certificate of Analysis | Jun 07, 2023 | N159146 |
| F2328787 | Certificate of Analysis | Jun 07, 2023 | N159146 |
| F2328788 | Certificate of Analysis | Jun 07, 2023 | N159146 |
| F2328789 | Certificate of Analysis | Jun 07, 2023 | N159146 |
| Molecular Weight | 382.500 g/mol |
|---|---|
| XLogP3 | 8.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 14 |
| Exact Mass | 382.251 Da |
| Monoisotopic Mass | 382.251 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 393.000 |
| 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 |
