≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCCCCOC(=O)CCC |
|---|---|
| IUPAC Name | heptyl butanoate |
| InChIKey | JPQHLIYIQARLQM-UHFFFAOYSA-N |
| INCHI | 1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3 |
| Isomeric SMILES | CCCCCCCOC(=O)CCC |
| Molecular Weight | 186.29 |
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 |
|---|---|---|---|
 C2625143 | Certificate of Analysis | Nov 15, 2025 | H694085 |
| G2623021 | Certificate of Analysis | Nov 15, 2025 | H694085 |
| K2525639 | Certificate of Analysis | Nov 15, 2025 | H694085 |
| K2525640 | Certificate of Analysis | Nov 15, 2025 | H694085 |
| K2525645 | Certificate of Analysis | Nov 15, 2025 | H694085 |
| K2525646 | Certificate of Analysis | Nov 15, 2025 | H694085 |
| Refractive Index | n20/D 1.4215 (lit.) |
|---|---|
| Flash Point(°F) | 195.8 °F - closed cup |
| Flash Point(°C) | 91 °C - closed cup |
| Boil Point(°C) | 225-226℃ (lit.) |
| Melt Point(°C) | −58℃ (lit.) |
| Molecular Weight | 186.290 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 186.162 Da |
| Monoisotopic Mass | 186.162 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 121.000 |
| 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 |
