≥95% 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 10 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488182135 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182135 |
| Canonical Smiles | CC(=O)CC(=O)OC(C)(C)C |
| IUPAC Name | tert-butyl 3-oxobutanoate |
| InChIKey | JKUYRAMKJLMYLO-UHFFFAOYSA-N |
| INCHI | 1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3 |
| Isomeric SMILES | CC(=O)CC(=O)OC(C)(C)C |
| WGK Germany | 1 |
| Molecular Weight | 158.19 |
| Beilstein | 1680303 |
| Reaxy-Rn | 1680303 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1680303&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 | Beta-keto acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Beta-keto acids and derivatives |
| Alternative Parents | Fatty acid esters 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - 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 beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 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 |
|---|---|---|---|
 F2608220 | Certificate of Analysis | May 20, 2026 | B106230 |
| F2608218 | Certificate of Analysis | May 20, 2026 | B106230 |
| F2608217 | Certificate of Analysis | May 20, 2026 | B106230 |
| F2608215 | Certificate of Analysis | May 20, 2026 | B106230 |
| H2127115 | Certificate of Analysis | Jun 09, 2025 | B106230 |
| C2119071 | Certificate of Analysis | Jan 09, 2025 | B106230 |
| B2519219 | Certificate of Analysis | Dec 10, 2024 | B106230 |
| J2523113 | Certificate of Analysis | Dec 10, 2024 | B106230 |
| I2512044 | Certificate of Analysis | Dec 10, 2024 | B106230 |
| D2603009 | Certificate of Analysis | Dec 10, 2024 | B106230 |
| B2519220 | Certificate of Analysis | Dec 10, 2024 | B106230 |
| B2519218 | Certificate of Analysis | Dec 10, 2024 | B106230 |
| J2415644 | Certificate of Analysis | Sep 12, 2024 | B106230 |
| J2415647 | Certificate of Analysis | Sep 12, 2024 | B106230 |
| J2415651 | Certificate of Analysis | Sep 12, 2024 | B106230 |
| L2403078 | Certificate of Analysis | Sep 12, 2024 | B106230 |
| E2324089 | Certificate of Analysis | Jan 26, 2022 | B106230 |
| C2330273 | Certificate of Analysis | Jan 26, 2022 | B106230 |
| C2226295 | Certificate of Analysis | Jan 26, 2022 | B106230 |
| C2226280 | Certificate of Analysis | Jan 26, 2022 | B106230 |
| C2226270 | Certificate of Analysis | Jan 26, 2022 | B106230 |
| H2315322 | Certificate of Analysis | May 28, 2021 | B106230 |
| Solubility | Soluble in water (9g/L). |
|---|---|
| Refractive Index | 1.419-1.421 |
| Flash Point(°F) | 150.8 °F |
| Flash Point(°C) | 66℃ |
| Boil Point(°C) | 71-72°C |
| Melt Point(°C) | -38°C |
| Molecular Weight | 158.190 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| 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 | 165.000 |
| 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. Tianhang Weng, Zejian He, Zhaohua Zhang, Yulong Chen, Mi Zhou, Bianying Wen. (2022) A facile method of functional derivatization based on starch acetoacetate. CARBOHYDRATE POLYMERS, [PMID:35483865] [10.1016/j.carbpol.2022.119468] |
| 2. Lin Quan, Jianfei Tie, Yamei Wang, Zhiping Mao, Linping Zhang, Yi Zhong, Xiaofeng Sui, Xueling Feng, Hong Xu. (2022) Mussel-inspired chitosan-based hydrogel sensor with pH-responsive and adjustable adhesion, toughness and self-healing capability. POLYMERS FOR ADVANCED TECHNOLOGIES, 33 (6): (1867-1880). [PMID:] [10.1002/pat.5643] |
| 3. Yangyang Zhu, Fei Gao, Jiang Zhong, Liang Shen, Yangju Lin. (2020) Renewable castor oil and DL-limonene derived fully bio-based vinylogous urethane vitrimers. EUROPEAN POLYMER JOURNAL, [PMID:] [10.1016/j.eurpolymj.2020.109865] |
| 4. Xuyang Luo, Fei Gao, Fengbiao Chen, Qian Cheng, Jinze Zhao, Xiao Wei, Cong Lin, Jiang Zhong, Liang Shen. (2020) Organic–inorganic hybrid coating materials derived from renewable soybean oil and amino silanes. RSC Advances, 10 (27): (15881-15887). [PMID:35493674] [10.1039/D0RA01279C] |
| 5. Song Niu, Hongxia Yan, Zhengyan Chen, Yuqun Du, Wei Huang, Lihua Bai, Qing Lv. (2016) Hydrosoluble aliphatic tertiary amine-containing hyperbranched polysiloxanes with bright blue photoluminescence. RSC Advances, 6 (108): (106742-106753). [PMID:] [10.1039/C6RA22916F] |
| 6. Lei Wang, Hong Wang, Sinong Huang, Jiao Feng, Yifei Wu, Jing Deng, Junping Liu, Xiang Tu, Xiaoyan Ma, Xueyan Li, Andrea M. Dietrich. (2024) Enhanced deep dehalogenation of brominated DBPs on vitamin B12 composite electrodes by the synergistic effect of UV irradiation: Accelerated formation of Co-Br bonds and enhanced mediation by atomic H*. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.149873] |
| 7. Yanan Zhang, Yanling Song, Bijia Wang, Zhiping Mao, Xiaofeng Sui, Liduo Rong, Meixin Zhao, Xueling Feng. (2024) Multifunctional organohydrogels for on-demand controlled drug release. EUROPEAN POLYMER JOURNAL, [PMID:] [10.1016/j.eurpolymj.2024.113047] |
| 8. Yu Du, Yaqi Xu, Jiongrui Hou, Xueling Li, Jing Yang, Jingqin Yang, Shaoyun Shan, Chengxiao Wang, Hongying Su. (2025) Robust fabrication of pyrogallol-conjugated dextran hydrogel as antioxidant hemo-adsorbent for the selective adsorption of Pb(II). SEPARATION AND PURIFICATION TECHNOLOGY, [PMID:] [10.1016/j.seppur.2025.132098] |
| 9. Jingqin Yang, Yanchi Liu, Chunfeng Yin, Yuqi Lu, Yu Du, Chengxiao Wang, Shaoyun Shan, Hongying Su. (2025) Revisiting the Classical Multicomponent Hantzsch Reaction to Form Fluorescent Dextran Hydrogels with Antibacterial Activity. MACROMOLECULES, [PMID:] [10.1021/acs.macromol.5c00086] |
| 10. Lei Wang, Mushan Yuan, Yisen Huang, Yang Chen, Shengtai Zhou, Huawei Zou, Yinfu Luo, Zhengguang Heng, Mei Liang. (2025) Balancing mechanical performance and repair ability of epoxy and its composites via dual dynamic mechanism. POLYMER, [PMID:] [10.1016/j.polymer.2025.128881] |
