≥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 | 488181211 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181211 |
| Canonical Smiles | CCCC(=O)OCC(C)C |
| IUPAC Name | 2-methylpropyl butanoate |
| InChIKey | RGFNRWTWDWVHDD-UHFFFAOYSA-N |
| INCHI | 1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3 |
| Isomeric SMILES | CCCC(=O)OCC(C)C |
| RTECS | ET5020000 |
| Molecular Weight | 144.21 |
| Beilstein | 2(4)790 |
| Reaxy-Rn | 1747322 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747322&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 |
|---|---|---|---|
 F2625149 | Certificate of Analysis | Jun 27, 2026 | I157497 |
| E1831090 | Certificate of Analysis | Jan 26, 2026 | I157497 |
| B2315146 | Certificate of Analysis | Feb 18, 2023 | I157497 |
| K2230670 | Certificate of Analysis | Jul 21, 2022 | I157497 |
| K2230694 | Certificate of Analysis | Jul 21, 2022 | I157497 |
| K2230707 | Certificate of Analysis | Jul 21, 2022 | I157497 |
| K2230714 | Certificate of Analysis | Jul 21, 2022 | I157497 |
| D2315465 | Certificate of Analysis | Mar 08, 2022 | I157497 |
| Refractive Index | 1.4 |
|---|---|
| Flash Point(°F) | 49°C(lit.) |
| Flash Point(°C) | 49°C(lit.) |
| Boil Point(°C) | 157°C |
| Molecular Weight | 144.210 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 144.115 Da |
| Monoisotopic Mass | 144.115 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 97.400 |
| 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. Ning Ma, Jiancai Zhu, Heng Wang, Michael C. Qian, Zuobing Xiao. (2024) Comparative Investigation of Aroma-Active Volatiles in (“Ruixue”, “Liangzhi”, “Crystal Fuji,” and “Guifei”) Apples by Application of Gas Chromatography–Mass Spectrometry–Olfactometry (GC–MS–O) and Two-Dimensional Gas Chromatography-Quadrupole Mass Spectrometry (GC × GC-qMS) Coupled with Sensory Molecular Science. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:39494627] [10.1021/acs.jafc.4c05811] |
| 2. Mobarak Syed Husne, Basit Abdul, Wu Lei, Khurshid Aroosa, Gui Shun-Hua, Hu Chao-Xing, Liu Tong-Xian. (2025) Identification of a potent attractant and oviposition stimulant blend for Bactrocera dorsalis for sustainable pest management. Scientific Reports, 15 (1): (1-13). [PMID:40254634] [10.1038/s41598-025-96277-z] |
| 3. Ning Ma, Jiancai Zhu, Heng Wang, Michael C. Qian, Zuobing Xiao. (2026) Characteristic Aroma Fingerprint Disclosure of Apples (Malus × domestica) by Applying SBSE-GC-O-MS and GC-IMS Technology Coupled with Sensory Molecular Science. Foods, 15 (3): [PMID:41683070] [10.3390/foods15030482] |
