≥97%(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.
Heptylbenzene (1-Phenylheptane) forms charge-transfer complexes with fluoranil and 1,3,5-trinitrobenzene.
1-Phenylheptane is used in zirconia and titania based stationary phase capillary HTLC, to separate alkyl benzene derivatives using an acetonitrile-water eluent.
| Pubchem Sid | 488181945 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181945 |
| Canonical Smiles | CCCCCCCC1=CC=CC=C1 |
| IUPAC Name | heptylbenzene |
| InChIKey | LBNXAWYDQUGHGX-UHFFFAOYSA-N |
| INCHI | 1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3 |
| Isomeric SMILES | CCCCCCCC1=CC=CC=C1 |
| WGK Germany | 3 |
| Molecular Weight | 176.3 |
| Beilstein | 1905780 |
| Reaxy-Rn | 1905782 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905782&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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Aromatic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| 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 |
|---|---|---|---|
 D2109200 | Certificate of Analysis | Jan 16, 2025 | H157141 |
| D2109201 | Certificate of Analysis | Jan 16, 2025 | H157141 |
| B2310670 | Certificate of Analysis | Nov 25, 2022 | H157141 |
| B2310679 | Certificate of Analysis | Nov 25, 2022 | H157141 |
| B2310927 | Certificate of Analysis | Nov 25, 2022 | H157141 |
| B2310963 | Certificate of Analysis | Nov 25, 2022 | H157141 |
| B2310965 | Certificate of Analysis | Nov 25, 2022 | H157141 |
| B2311148 | Certificate of Analysis | Nov 25, 2022 | H157141 |
| F2506095 | Certificate of Analysis | Nov 25, 2022 | H157141 |
| Refractive Index | 1.485 |
|---|---|
| Flash Point(°F) | 203 °F |
| Flash Point(°C) | 95°C(lit.) |
| Boil Point(°C) | 235°C(lit.) |
| Melt Point(°C) | -48 °C |
| Molecular Weight | 176.300 g/mol |
| XLogP3 | 6.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 6 |
| Exact Mass | 176.157 Da |
| Monoisotopic Mass | 176.157 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 101.000 |
| 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 |
