≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships FedEx DG Service 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180560 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180560 |
| Canonical Smiles | CCCC(=O)OCCC |
| IUPAC Name | propyl butanoate |
| InChIKey | HUAZGNHGCJGYNP-UHFFFAOYSA-N |
| INCHI | 1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3 |
| Isomeric SMILES | CCCC(=O)OCCC |
| WGK Germany | 2 |
| RTECS | ET6200000 |
| UN Number | 3272 |
| Packing Group | III |
| Molecular Weight | 130.18 |
| Beilstein | 1745552 |
| Reaxy-Rn | 1745552 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745552&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 | Lipids and lipid-like molecules |
| Class | 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 |
| Description | 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 | Date | Item |
|---|---|---|---|
 I2423455 | Certificate of Analysis | Sep 11, 2024 | P100044 |
| I2423456 | Certificate of Analysis | Sep 11, 2024 | P100044 |
| I2423457 | Certificate of Analysis | Sep 11, 2024 | P100044 |
| I2423458 | Certificate of Analysis | Sep 11, 2024 | P100044 |
| J1924239 | Certificate of Analysis | Aug 14, 2023 | P100044 |
| D2324172 | Certificate of Analysis | Oct 25, 2022 | P100044 |
| L2205286 | Certificate of Analysis | Oct 25, 2022 | P100044 |
| L2205287 | Certificate of Analysis | Oct 25, 2022 | P100044 |
| Solubility | Slightly soluble in water, soluble in alcohol and ether. |
|---|---|
| Refractive Index | 1.4005 |
| Flash Point(°F) | 98.6 °F |
| Flash Point(°C) | 35℃ |
| Boil Point(°C) | 143°C |
| Melt Point(°C) | -95°C |
| Molecular Weight | 130.180 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 130.099 Da |
| Monoisotopic Mass | 130.099 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 79.000 |
| 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 |
| 1. Zhuomin Zhang, Yunjian Ma, Qingtang Wang, An Chen, Zhuoyan Pan, Gongke Li. (2013) Preparation of novel alumina nanowire solid-phase microextraction fiber coating for ultra-selective determination of volatile esters and alcohols from complicated food samples. JOURNAL OF CHROMATOGRAPHY A, [PMID:23582855] [10.1016/j.chroma.2013.03.052] |
