≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | 488188805 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188805 |
| Kanonisches Lächeln | CCCCCCCC(=O)OCCC1=CC=CC=C1 |
| IUPAC Name | 2-phenylethyl octanoate |
| InChIKey | ASETYIALRXDVDF-UHFFFAOYSA-N |
| INCHI | 1S/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3 |
| Isomere SMILES | CCCCCCCC(=O)OCCC1=CC=CC=C1 |
| PubChem CID | 229888 |
| Molekulargewicht | 248.37 |
| Reaxy-Rn | 1879749 |
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 | Lipids and lipid-like molecules |
| Klasse | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Benzene and substituted derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Fatty acid ester - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty 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 | Datum | Artikel |
|---|---|---|---|
 D2320586 | Certificate of Analysis | Mar 17, 2023 | P405763 |
| D2320591 | Certificate of Analysis | Mar 17, 2023 | P405763 |
| D2320596 | Certificate of Analysis | Mar 17, 2023 | P405763 |
| D2320597 | Certificate of Analysis | Mar 17, 2023 | P405763 |
| Brechungsindex | 1.48 |
|---|---|
| Flammpunkt (°C) | > 113.00 °C - closed cup |
| Siedepunkt (°C) | 296 °C |
| Molekulargewicht | 248.360 g/mol |
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| Exact Mass | 248.178 Da |
| Monoisotopic Mass | 248.178 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 207.000 |
| 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 |
