≥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 25 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488182235 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182235 |
| Canonical Smiles | CCCCOC(=O)CCC(=O)C |
| IUPAC Name | butyl 4-oxopentanoate |
| InChIKey | ISBWNEKJSSLXOD-UHFFFAOYSA-N |
| INCHI | 1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3 |
| Isomeric SMILES | CCCCOC(=O)CCC(=O)C |
| WGK Germany | 2 |
| RTECS | OI1700000 |
| Molecular Weight | 172.22 |
| Beilstein | 507641 |
| Reaxy-Rn | 1768453 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1768453&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 | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2215027 | Certificate of Analysis | Jun 15, 2026 | B119906 |
| A2208296 | Certificate of Analysis | Oct 13, 2025 | B119906 |
| A2208297 | Certificate of Analysis | Oct 13, 2025 | B119906 |
| E2325245 | Certificate of Analysis | Aug 09, 2022 | B119906 |
| I2215028 | Certificate of Analysis | Aug 09, 2022 | B119906 |
| Refractive Index | 1.43 |
|---|---|
| Flash Point(°F) | 197.6 °F |
| Flash Point(°C) | 92 °C |
| Boil Point(°C) | 237°C |
| Molecular Weight | 172.220 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 172.11 Da |
| Monoisotopic Mass | 172.11 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 152.000 |
| 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. Yi Tian, Kangyu Zhao, Shuolin Zhou, Qiong Xu, Dulin Yin, Xianxiang Liu. (2023) A novel sulfonated solid acid catalyst for efficient conversion of furfuryl alcohol to n-butyl levulinate fuel bioadditive. Molecular Catalysis, [PMID:] [10.1016/j.mcat.2023.113731] |
| 2. Muhammad Umair Ahmad, Guoying Zhao, Shahid Hussain. (2023) Trifloaluminate Ionic Liquids Supported UIO-67 as Lewis Acidic Catalyst for Excellent Synthesis of Alkyl Levulinates. ChemistrySelect, 8 (43): (e202302665). [PMID:] [10.1002/slct.202302665] |
| 3. Jing Guo, Feng Li, Yuting Chu, Peng Zou, Chuang Li. (2023) Conversion of Levulinic Acid and its Esters to 1,5-dimethyl-2-Pyrrolidone over a Nonnoble Metallic Ni@CeOx Catalyst. ChemSusChem, 16 (21): (e202300754). [PMID:37477629] [10.1002/cssc.202300754] |
| 4. Xiao Yaoxin, Zhang Jun, Zhu Lingjun, Shan Rui, Yuan Haoran, Chen Yong. (2022) Electroplating sludge-derived magnetic copper-containing catalysts for selective hydrogenation of bio-based furfural. Biomass Conversion and Biorefinery, [PMID:] [10.1007/s13399-022-02970-8] |
| 5. Jinghua Wang, Jiangang Wang, Hongyou Cui, Zhihe Li, Ming Wang, Weiming Yi. (2022) Promotion effect of molten salt hydrate on co-esterification of biomass-derived levulinic and formic acids. FUEL, [PMID:] [10.1016/j.fuel.2022.124077] |
| 6. Na Ji, Xinyong Diao, Zhihao Yu, Zhenyu Liu, Sinan Jiang, Xuebin Lu, Chunfeng Song, Qingling Liu, Degang Ma, Caixia Liu. (2021) Catalytic transfer hydrogenation of ethyl levulinate to γ-valerolactone over supported MoS2 catalysts. Catalysis Science & Technology, 11 (15): (5062-5076). [PMID:] [10.1039/D1CY00524C] |
| 7. Haijun Guo, Shuai Ding, Hairong Zhang, Can Wang, Fen Peng, Lian Xiong, Xinde Chen, Xinping Ouyang. (2021) Improvement on the catalytic performances of butyl levulinate hydrogenation to γ-valerolactone over self-regenerated CuNiCoB/Palygorskite catalyst. Molecular Catalysis, [PMID:] [10.1016/j.mcat.2021.111483] |
| 8. 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] |
| 9. Han Chen, Qiong Xu, Du Zhang, Wenzhu Liu, Xianxiang Liu, Dulin Yin. (2020) Highly efficient synthesis of γ-valerolactone by catalytic conversion of biomass-derived levulinate esters over support-free mesoporous Ni. RENEWABLE ENERGY, [PMID:] [10.1016/j.renene.2020.09.023] |
| 10. Chen Han, Xu Qiong, Li Hui, Liu Jian, Liu Xianxiang, Huang Geng, Yin Dulin. (2020) Catalytic Transfer Hydrogenation of Ethyl Levulinate to γ-Valerolactone Over Ni Supported on Equilibrium Fluid-Catalytic-Cracking Catalysts. CATALYSIS LETTERS, 151 (2): (538-547). [PMID:] [10.1007/s10562-020-03326-5] |
| 11. 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] |
| 12. Jian He, Hu Li, Yufei Xu, Song Yang. (2019) Dual acidic mesoporous KIT silicates enable one-pot production of γ-valerolactone from biomass derivatives via cascade reactions. RENEWABLE ENERGY, [PMID:] [10.1016/j.renene.2019.06.105] |
| 13. Chen Liang, Yan Wang, Yangdong Hu, Lianying Wu, Weitao Zhang. (2019) Study of a New Process for the Preparation of Butyl Levulinate from Cellulose. ACS Omega, [PMID:31460073] [10.1021/acsomega.9b00735] |
| 14. Xiaojiang Liang, Yanren Fei, Qinglong Xie, Yang Liu, Meizhen Lu, Fan Xia, Yong Nie, Jianbing Ji. (2019) Sulfuryl Fluoride Absorption from Fumigation Exhaust Gas by Biobased Solvents: Thermodynamic and Quantum Chemical Analysis. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, [PMID:] [10.1021/acs.iecr.8b06112] |
| 15. Xie Yongdi, Wang Haijun, Liu Xiang, Xia Yongmei. (2018) Zirconium tripolyphosphate as an efficient catalyst for the hydrogenation of ethyl levulinate to γ-valerolactone with isopropanol as hydrogen donor. Reaction Kinetics Mechanisms and Catalysis, 125 (1): (71-84). [PMID:] [10.1007/s11144-018-1421-1] |
| 16. Yongdi Xie, Fan Li, Jianjia Wang, Ruiying Wang, Haijun Wang, Xiang Liu, Yongmei Xia. (2017) Catalytic transfer hydrogenation of ethyl levulinate to γ-valerolactone over a novel porous Zirconium trimetaphosphate. Molecular Catalysis, [PMID:] [10.1016/j.mcat.2017.09.011] |
| 17. Lincai Peng, Ruili Tao, Yu Wu. (2016) Catalytic Upgrading of Biomass-Derived Furfuryl Alcohol to Butyl Levulinate Biofuel over Common Metal Salts. Catalysts, 6 (9): (143). [PMID:] [10.3390/catal6090143] |
| 18. Guoqiang Han, Yaotai Jiang, Dongshun Deng, Ning Ai. (2015) Solubilities and thermodynamic properties of SO2 in five biobased solvents. JOURNAL OF CHEMICAL THERMODYNAMICS, [PMID:] [10.1016/j.jct.2015.09.017] |
| 19. 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] |
| 20. Rulu Huang, Yue Wang, Feiyi Chen, Huai Liu, Rui Zhang, Wenlong Jia, Lincai Peng, Yong Sun, Junhua Zhang. (2024) Facile generation of unsaturated-coordinated and atomically-dispersed hafnium active sites for the highly efficient catalytic transfer hydrogenation of levulinic acid. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.154537] |
| 21. Haiyang Liu, Zhen Ma, Xueli Liu, Yuan Wu, Weihong Zhang, Shiqiang Zhao, Wei Chen, Chun Chang. (2024) Green synthesis of biobased glycerol levulinate ketal in a continuous flow reactor: Optimization, kinetics and simulation. APPLIED ENERGY, [PMID:] [10.1016/j.apenergy.2024.122910] |
| 22. Lulu Zhang, Jing Wang, Qingyi Wang. (2024) Influence of pH on the synthesis of carbon spheres and the application of carbon sphere-based solid catalysts in esterification. REVIEWS ON ADVANCED MATERIALS SCIENCE, 63 (1): [PMID:] [10.1515/rams-2024-0060] |
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| 25. Chun Chang, Xin Liu, Shuo Zang, Kai Fu, Zhen Ma, Xiaoyang Zheng, Huijuan Tian, Zhining Li. (2025) Synergistic binary acidity in metal sulfates drives efficient alcoholysis of high-solid xylose residues: An experimental and DFT investigation. BIOMASS & BIOENERGY, [PMID:] [10.1016/j.biombioe.2025.108775] |
