≥99%(GC) 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488183454 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183454 |
| Canonical Smiles | CCCC(=O)OC(C)C |
| IUPAC Name | propan-2-yl butanoate |
| InChIKey | FFOPEPMHKILNIT-UHFFFAOYSA-N |
| INCHI | 1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3 |
| Isomeric SMILES | CCCC(=O)OC(C)C |
| WGK Germany | 3 |
| UN Number | 2405 |
| Packing Group | III |
| Molecular Weight | 130.19 |
| Beilstein | 2(4)789 |
| Reaxy-Rn | 1745544 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745544&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 |
|---|---|---|---|
 I2203309 | Certificate of Analysis | Jun 11, 2026 | I157502 |
| I2203310 | Certificate of Analysis | Jun 11, 2026 | I157502 |
| I2205129 | Certificate of Analysis | Jun 11, 2026 | I157502 |
| I2205516 | Certificate of Analysis | Jun 11, 2026 | I157502 |
| B1824049 | Certificate of Analysis | May 20, 2025 | I157502 |
| G2009202 | Certificate of Analysis | May 09, 2024 | I157502 |
| D2315456 | Certificate of Analysis | Jul 30, 2022 | I157502 |
| D2315460 | Certificate of Analysis | Jul 30, 2022 | I157502 |
| Refractive Index | 1.39 |
|---|---|
| Flash Point(°C) | 29 °C |
| Boil Point(°C) | 130 °C |
| Molecular Weight | 130.180 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| 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 | 86.900 |
| 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 |
