≥97% 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 | 488186104 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186104 |
| Sourires canoniques | CCCCCCCC(=O)OCC1=CC=CC=C1 |
| IUPAC Name | benzyl octanoate |
| InChIKey | MWQWCHLIPMDVLS-UHFFFAOYSA-N |
| INCHI | 1S/C15H22O2/c1-2-3-4-5-9-12-15(16)17-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3 |
| Isomères SMILES | CCCCCCCC(=O)OCC1=CC=CC=C1 |
| Poids moléculaire | 234.34 |
| Reaxy-Rn | 1876959 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1876959&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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Fatty acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
| 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 | Article |
|---|---|---|---|
 D23241000 | Certificate of Analysis | Mar 23, 2023 | B405433 |
| D2324774 | Certificate of Analysis | Mar 23, 2023 | B405433 |
| D2324839 | Certificate of Analysis | Mar 23, 2023 | B405433 |
| D2324929 | Certificate of Analysis | Mar 23, 2023 | B405433 |
| D2324930 | Certificate of Analysis | Mar 23, 2023 | B405433 |
| D2324998 | Certificate of Analysis | Mar 23, 2023 | B405433 |
| Indice de réfraction | 1.49 |
|---|---|
| Point d'éclair (°C) | 108 °C |
| Point d'ébullition (°C) | 112 °C/0.7 mmHg |
| Poids moléculaire | 234.330 g/mol |
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 234.162 Da |
| Monoisotopic Mass | 234.162 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 195.000 |
| 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 |
