≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488188677 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188677 |
| Canonical Smiles | CCCOC(=O)CCC(=O)C |
| IUPAC Name | propyl 4-oxopentanoate |
| InChIKey | QOSMNYMQXIVWKY-UHFFFAOYSA-N |
| INCHI | 1S/C8H14O3/c1-3-6-11-8(10)5-4-7(2)9/h3-6H2,1-2H3 |
| Isomeric SMILES | CCCOC(=O)CCC(=O)C |
| PubChem CID | 221069 |
| Molecular Weight | 158.2 |
| Reaxy-Rn | 1766591 |
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 | Organic acids and derivatives |
| Class | Keto acids and derivatives |
| Subclass | Gamma-keto acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Gamma-keto acids and derivatives |
| Alternative Parents | Fatty acid esters Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Gamma-keto acid - Fatty acid ester - Fatty acyl - Ketone - 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 gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom. |
| External Descriptors | Not available |
| Refractive Index | 1.43 |
|---|---|
| Flash Point(°C) | 88 °C |
| Boil Point(°C) | 221 °C |
| Molecular Weight | 158.190 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.094 Da |
| Monoisotopic Mass | 158.094 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 140.000 |
| 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. Lincai Peng, Xueying Gao, Yao Liu, Junhua Zhang, Liang He. (2021) Coupled Transfer Hydrogenation and Alcoholysis of Furfural To Yield Alkyl Levulinate over Multifunctional Zirconia-Zeolite-Supported Heteropoly Acid. ENERGY & FUELS, [PMID:] [10.1021/acs.energyfuels.0c04222] |
| 2. Mengmeng Wang, Lincai Peng, Xueying Gao, Liang He, Junhua Zhang. (2019) Efficient one-pot synthesis of alkyl levulinate from xylose with an integrated dehydration/transfer-hydrogenation/alcoholysis process. Sustainable Energy & Fuels, 4 (3): (1383-1395). [PMID:] [10.1039/C9SE00982E] |
| 3. Jinzhu Chen, Guoying Zhao, Limin Chen. (2013) Efficient production of 5-hydroxymethylfurfural and alkyl levulinate from biomass carbohydrate using ionic liquid-based polyoxometalate salts. RSC Advances, 4 (8): (4194-4202). [PMID:] [10.1039/C3RA45632C] |
| 4. Tinghao Han, Zhongdi Liu, Lincai Peng, Weipeng Song, Huai Liu, Wenlong Jia, Rui Zhang. (2025) Solvent-induced one-pot catalytic conversion of xylose to high yield γ-valerolactone over Zr-Beta zeolite. APPLIED CATALYSIS A-GENERAL, [PMID:] [10.1016/j.apcata.2025.120449] |
| 5. Jinghua Wang, Jiangang Wang, Hongyou Cui. (2025) Formylation-mediated pretreatment: Enabling high-yield production of methyl levulinate from cellulose at high substrate loading. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2025.167667] |
K2204047