≥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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488181215 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181215 |
| Canonical Smiles | CCCCCOC(=O)CCC |
| IUPAC Name | pentyl butanoate |
| InChIKey | CFNJLPHOBMVMNS-UHFFFAOYSA-N |
| INCHI | 1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3 |
| Isomeric SMILES | CCCCCOC(=O)CCC |
| RTECS | ET5956000 |
| UN Number | 2620 |
| Packing Group | III |
| Molecular Weight | 158.24 |
| Beilstein | 2(4)790 |
| Reaxy-Rn | 1752307 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752307&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 | butyrate ester |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2203081 | Certificate of Analysis | Jun 11, 2026 | A111359 |
| G1802094 | Certificate of Analysis | Feb 05, 2026 | A111359 |
| F1820009 | Certificate of Analysis | Feb 05, 2026 | A111359 |
| E2309286 | Certificate of Analysis | Feb 10, 2023 | A111359 |
| E2309289 | Certificate of Analysis | Feb 10, 2023 | A111359 |
| E2309295 | Certificate of Analysis | Feb 10, 2023 | A111359 |
| E2309296 | Certificate of Analysis | Feb 10, 2023 | A111359 |
| A2330490 | Certificate of Analysis | Aug 20, 2022 | A111359 |
| I2203082 | Certificate of Analysis | Aug 20, 2022 | A111359 |
| I2203083 | Certificate of Analysis | Aug 20, 2022 | A111359 |
| Solubility | Insoluble in water, soluble in ethanol and ether. |
|---|---|
| Refractive Index | 1.41 |
| Flash Point(°C) | 57 °C |
| Boil Point(°C) | 184-188°C |
| Molecular Weight | 158.240 g/mol |
| XLogP3 | 2.700 |
| 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. Nan He, Chunxiao Zhang, Kaiyang Hou, Hongxiao Yu, Donghai Zhang, Mengying Chen, Kaiqiang Zhang, Xu Wang. (2023) A comprehensive study on flavor/cyclodextrin inclusion complexes. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [PMID:] [10.1016/j.colsurfa.2023.132613] |
| 2. Dongpeng Yang, Siyun Ye, Jianping Ge. (2013) Solvent Wrapped Metastable Colloidal Crystals: Highly Mutable Colloidal Assemblies Sensitive to Weak External Disturbance. Journal of the American Chemical Society, [PMID:24266836] [10.1021/ja405670r] |
