≥97% 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 | 488190816 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190816 |
| Canonical Smiles | CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCC |
| IUPAC Name | 1-pentoxy-4-(4-pentoxyphenyl)benzene |
| InChIKey | XTKHESQIKTWMCD-UHFFFAOYSA-N |
| INCHI | 1S/C22H30O2/c1-3-5-7-17-23-21-13-9-19(10-14-21)20-11-15-22(16-12-20)24-18-8-6-4-2/h9-16H,3-8,17-18H2,1-2H3 |
| Isomeric SMILES | CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCC |
| Molecular Weight | 326.48 |
| Reaxy-Rn | 2587556 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2587556&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 | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | Phenoxy compounds Phenol ethers Alkyl aryl ethers Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| 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 |
|---|---|---|---|
 F2330365 | Certificate of Analysis | Jun 06, 2023 | D155166 |
| F2330373 | Certificate of Analysis | Jun 06, 2023 | D155166 |
| F2330406 | Certificate of Analysis | Jun 06, 2023 | D155166 |
| F2330410 | Certificate of Analysis | Jun 06, 2023 | D155166 |
| Melt Point(°C) | 136 °C |
|---|---|
| Molecular Weight | 326.500 g/mol |
| XLogP3 | 7.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 11 |
| Exact Mass | 326.225 Da |
| Monoisotopic Mass | 326.225 Da |
| Topological Polar Surface Area | 18.500 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 258.000 |
| 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 |
