≥98%(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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488181612 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181612 |
| Sonrisas canónicas | CCCCCC(=O)OCCC |
| IUPAC Name | propyl hexanoate |
| InChIKey | HTUIWRWYYVBCFT-UHFFFAOYSA-N |
| INCHI | 1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3 |
| Isómeros SMILES | CCCCCC(=O)OCCC |
| PubChem CID | 12293 |
| Número ONU | 3272 |
| Grupo de embalaje | III |
| Peso molecular | 158.24 |
| Reaxy-Rn | 1752238 |
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 |
| Clase | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Descripción | 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 | Wax monoesters |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 A2630077 | Certificate of Analysis | Feb 04, 2026 | P136440 |
| I2126356 | Certificate of Analysis | Apr 03, 2025 | P136440 |
| I2126359 | Certificate of Analysis | Apr 03, 2025 | P136440 |
| D2325233 | Certificate of Analysis | Feb 06, 2025 | P136440 |
| D2325229 | Certificate of Analysis | Feb 06, 2025 | P136440 |
| F1602020 | Certificate of Analysis | Nov 02, 2023 | P136440 |
| I2126357 | Certificate of Analysis | Jul 10, 2023 | P136440 |
| Índice de refracción | n20/D 1.412 (lit.) |
|---|---|
| Punto de inflamación (°C) | 52°C(lit.) |
| Punto de ebullición (°C) | 187 °C (lit.) |
| Punto de fusión (°C) | −69 °C (lit.) |
| Peso molecular | 158.240 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 158.131 Da |
| Monoisotopic Mass | 158.131 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 99.700 |
| 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 |
| 1. Jiaxin Gong, Yu Ma, Lili Li, Yuxin Cheng, Yongguang Huang. (2023) Comparative characterization and contribution of key aroma compounds in the typical base liquor of Jiang-flavor Baijiu from different distributions in the Chinese Chishui River basin. Food Chemistry-X, [PMID:37868367] [10.1016/j.fochx.2023.100932] |
| 2. Lingshan Li, Mei Fan, Yan Xu, Liang Zhang, Yu Qian, Yongqing Tang, Jinsong Li, Jinsong Zhao, Siqi Yuan, Jun Liu. (2023) Comparative Analysis of Volatile Flavor Compounds in Strongly Flavored Baijiu under Two Different Pit Cap Sealing Processes. Foods, 12 (13): (2579). [PMID:37444317] [10.3390/foods12132579] |
| 3. Yu Mu, Jun Huang, Rongqing Zhou, Suyi Zhang, Hui Qin, Hanlan Tang, Qianglin Pan, Huifang Tang. (2023) Characterization of the differences in aroma-active compounds in strong-flavor Baijiu induced by bioaugmented Daqu using metabolomics and sensomics approaches. FOOD CHEMISTRY, [PMID:37247603] [10.1016/j.foodchem.2023.136429] |
