Ethyl acetoacetate - AR, ≥98% , CAS No.141-97-9

CAS: 141-97-9 Cat. No.: E103937 Peso molecular: 130.14 Beilstein Registry Number: 385838 Número EC: 205-516-1
Disponible para pedir
GRADE & PURITY AR ? Analytical Reagent grade — high-purity chemicals meeting strict assay limits for lab analysis. Use when accuracy matters and trace impurities could skew results. ≥98%
Synonyms
Ethyl acetoacetate, puriss. p.a., >=99.0% (GC) | FEMA No. 2415 | MFCD00009199 | NSC 8657 | WLN: 2OV1V1 | Q47192 | STL163546 | Acetoctan ethylnaty [Czech] | active acetyl acetate | BBL012204 | 3-Oxo-butyric acid ethyl ester | A0649 | bmse000944 | ETHYL ACE
Storage
Room temperature,Cool
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
25ml
E103937-25ml
2
9,90US$
100ml
E103937-100ml
≥10
10,90US$
500ml
E103937-500ml
4

14,90US$

27,90US$
Guardar 13,00 US$ (46.59%)
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Why this grade

AR, ≥98% AR for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature,Cool Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 42 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
Ethyl acetoacetate, puriss. p.a., >=99.0% (GC) | FEMA No. 2415 | MFCD00009199 | NSC 8657 | WLN: 2OV1V1 | Q47192 | STL163546 | Acetoctan ethylnaty [Czech] | active acetyl acetate | BBL012204 | 3-Oxo-butyric acid ethyl ester | A0649 | bmse000944 | ETHYL ACE
Especificaciones y pureza
AR, ≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature, Cool
Enviado en
Normal
Grado
AR
Pureza
≥98%
Nombres e identificadores
Pubchem Sid488180896
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180896
Sonrisas canónicasCCOC(=O)CC(=O)C
IUPAC Nameethyl 3-oxobutanoate
InChIKeyXYIBRDXRRQCHLP-UHFFFAOYSA-N
INCHI1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
Isómeros SMILES CCOC(=O)CC(=O)C
WGK Alemania 1
RTECS AK5250000
Número ONU 1993
Grupo de embalaje I
Peso molecular 130.14
Beilstein 385838
Reaxy-Rn 385838
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385838&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClaseKeto acids and derivatives
SubclassBeta-keto acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBeta-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 FrameworkAliphatic 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
DescripciónThis 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 a small molecule
Estructura 3D
Modelo de Estructura Química Interactiva





Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

29 results found

Lot NumberCertificate TypeFechaArticulo
I2411024Certificate of AnalysisJun 11, 2026 E103937
K2210272Certificate of AnalysisMay 11, 2026 E103937
C2603228Certificate of AnalysisMar 16, 2026 E103937
C2603224Certificate of AnalysisMar 16, 2026 E103937
C2603221Certificate of AnalysisMar 16, 2026 E103937
C2603220Certificate of AnalysisMar 16, 2026 E103937
L2308495Certificate of AnalysisSep 19, 2025 E103937
L2308494Certificate of AnalysisSep 19, 2025 E103937
D2522375Certificate of AnalysisMay 09, 2025 E103937
D2522391Certificate of AnalysisMay 09, 2025 E103937
H2512070Certificate of AnalysisMay 09, 2025 E103937
D2522372Certificate of AnalysisApr 24, 2025 E103937
C2518711Certificate of AnalysisMar 24, 2025 E103937
C2518705Certificate of AnalysisMar 24, 2025 E103937
C2518704Certificate of AnalysisMar 24, 2025 E103937
K2408408Certificate of AnalysisJul 27, 2024 E103937
K2408407Certificate of AnalysisJul 27, 2024 E103937
E2409039Certificate of AnalysisMay 14, 2024 E103937
E2409041Certificate of AnalysisMay 13, 2024 E103937
L2308497Certificate of AnalysisDec 14, 2023 E103937
L2308496Certificate of AnalysisDec 12, 2023 E103937
L2116398Certificate of AnalysisSep 20, 2023 E103937
G2327068Certificate of AnalysisAug 05, 2023 E103937
G2308220Certificate of AnalysisJul 15, 2023 E103937
I2108021Certificate of AnalysisJun 09, 2023 E103937
C2314359Certificate of AnalysisMar 17, 2023 E103937
C2314386Certificate of AnalysisMar 16, 2023 E103937
C2111209Certificate of AnalysisDec 13, 2022 E103937
K2214088Certificate of AnalysisNov 18, 2022 E103937

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Propiedades químicas y físicas
SolubilidadSlightly soluble in water; Degree of Solubility in water: 28.6 g/l 20 °C; Miscible with Ether,Acetone
SensibilidadMoisture sensitive.
Índice de refracción1.42
Punto de inflamación (°F)163.4 °F
Punto de inflamación (°C)85℃
Punto de ebullición (°C)180°C
Punto de fusión (°C)-45°C
Peso molecular130.139 g/mol
XLogP30.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass130.063 Da
Monoisotopic Mass130.063 Da
Topological Polar Surface Area43.400 Ų
Heavy Atom Count9
Formal Charge0
Complexity117.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Preguntas frecuentes y artículos
Citations of This Product
Referencias
1. Juan Liu, Peng-Yu Cheng, Sai Chen, Meng Wang, Kai Wei, Yuan Li, Yao-Yao Cao, Xing Wang, Hong-Lei Li.  (2023)  Preparation and Application of a Fast, Naked-Eye, Highly Selective, and Highly Sensitive Fluorescent Probe of Schiff Base for Detection of Cu2+.  Chemosensors,  11  (11): (556).  [PMID:] [10.3390/chemosensors11110556]
2. Benteng Liu, Zhaopeng Hu, Xinke Zhong, Li Yang, Xin Jiang, Min Zuo, Miao Du, Yihu Song, Qiang Zheng, Danling Wang.  (2023)  Effect of deep eutectic solvents on vulcanization and rheological behaviors of rubber vulcanizates.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2023.139426]
3. 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]
4. Zongxu Na, Xiao Liang, Hao Wang, Li Yu, Chunming Fan, Qian Wang, Xianbao Wang, Huai Yang.  (2023)  Broadband Modulation, Self-Driven, and Self-Cleaning Smart Photovoltaic Windows for High Efficiency Energy Saving Buildings.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202308312]
5. Jinming Ge, Taipu Chen, Xiaofeng Wan, Lingfeng Lu, Ziqiang Liu, Shucheng Sun, Yuanqin Zhu.  (2023)  Highly Ion-Conductive and Alkaline Stable Anion Exchange Membranes Containing Bulky Aryl Units and Symmetric bis-Piperidinium Branches.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.3c00636]
6. Ming Yao, Ye Zhao, Xingping Zhou, Zhong’an Li, Haiyan Peng, Xiaolin Xie.  (2023)  Orthogonal integration of holographic and fluorescent dual images based on energy transfer from liquid crystals to a photocleavable AIEgen.  Journal of Materials Chemistry C,  11  (10): (3504-3512).  [PMID:] [10.1039/D2TC05387J]
7. Chunhui Yi, Fanyong Yan, Xin Wei, Yawei Wu, Xueyu Wang, Jinxia Xu.  (2023)  Design and characterization of high performance fluorescent probe for neutral red based on fluorescein monoaldol-3-acetyl coumarin.  JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,      [PMID:] [10.1016/j.jphotochem.2023.114592]
8. Shiyu Luo, Yanping He, Linhua Zhu, Tian Si, Yanlin Sun.  (2022)  Comprehensive evaluation on the encapsulation performances of melamine-formaldehyde microcapsules affected by core oils.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2022.130794]
9. Yaqun Ma, Zhan Wang, Yanxing Wang, Zhenghao Liu, Yukun Wang, Ruichan Lv.  (2022)  Coumarin derivative dye sensitized NaYGdF4:Yb,Er nanoparticles with enhanced NIR II luminescence for bio-vascular imaging.  JOURNAL OF RARE EARTHS,      [PMID:] [10.1016/j.jre.2022.08.013]
10. Yukai Zhao, Weichi Liang, Yihan Wang, Yan Tong, Zhanhong Li, Yuqian Liang, Xiaolong Liu, Jiuxing Jiang.  (2022)  F−@d4r, a New Type of Acidic Catalytic Site in Zeolite.  Catalysts,  12  (8): (809).  [PMID:] [10.3390/catal12080809]
11. Hu Chun-Mei, Luo Yong-Xin, Wang Wen-Jing, Li Jian-Ping, Li Meng-Yue, Zhang Yu-Fei, Xiao Di, Lu Li, Xiong Zhuang, Feng Na, Li Chen.  (2022)  Synthesis and Evaluation of Coumarin-Chalcone Derivatives as α-Glucosidase Inhibitors.  Frontiers in Chemistry,      [PMID:35832461] [10.3389/fchem.2022.926543]
12. Kangming Xu, Guoqing Chen, Mingjie Zhao, Weiyi He, Qiaoman Hu, Yong Pu.  (2022)  Transparent, self-recoverable, highly tough, puncture and tear resistant polyurethane supramolecular elastomer with fast self-healing capacity via “hard–soft” hard domain design.  RSC Advances,  12  (5): (2712-2720).  [PMID:35425297] [10.1039/D1RA07083E]
13. Jialu Yang, Caixia Yin, Ying Wen, Yongbin Zhang, Fangjun Huo.  (2020)  A photostable fluorescent probe based on PET off for the detection of hydrogen sulfide and its application in bioimaging.  NEW JOURNAL OF CHEMISTRY,  44  (17): (7091-7095).  [PMID:] [10.1039/D0NJ01504K]
14. Wen-Li Jiang, Wen-Xin Wang, Juan Liu, Yongfei Li, Chun-Yan Li.  (2020)  A novel hepatocyte-targeting ratiometric fluorescent probe for imaging hydrogen peroxide in zebrafish.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2020.128054]
15. Bo Wu, Yuan Lei, Yao Xiao, Yanjun Wang, Ye Yuan, Liang Jiang, Xi Zhang, Jingxin Lei.  (2019)  A Bio-Inspired and Biomass-Derived Healable Photochromic Material Induced by Hierarchical Structural Design.  MACROMOLECULAR MATERIALS AND ENGINEERING,  305  (1): (1900539).  [PMID:] [10.1002/mame.201900539]
16. Hengchang Ma, Manyi Yang, Shaoxiong Zhang, Pei Yin, Tao Wang, Yuan Yang, Ziqiang Lei, Yucheng Ma, Yanfang Qin, Zengming Yang.  (2018)  Two aggregation-induced emission (AIE)-active reaction-type probes: for real-time detecting and imaging of superoxide anions.  ANALYST,  144  (2): (536-542).  [PMID:30406221] [10.1039/C8AN01811A]
17. Ze Wu, Lei Zhang, Ji Li, Xiaolu Zhao, Chunhui Yang.  (2018)  Organic–inorganic hybridization for the synthesis of robust in situ hydrophobic polypropylsilsesquioxane aerogels with fast oil absorption properties.  RSC Advances,  (11): (5695-5701).  [PMID:35539583] [10.1039/C7RA13165H]
18. Zixu Zhang, Zikun Wang, Hongliang Mu, Xin Wang, Yunhui Li, Jingling Yan, Zhen Wang.  (2017)  A novel approach to 1,2,3-triazole grafted chitosans via modified Wolff’s cyclocondensation.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2017.11.047]
19. Weina Zhao, Yuan Xue, Peng Ma, Wenfei Ma, Jieni Wang, Deli Lu, Sheng Han.  (2016)  Improving the cold flow properties of high-proportional waste cooking oil biodiesel blends with mixed cold flow improvers.  RSC Advances,  (16): (13365-13370).  [PMID:] [10.1039/C5RA16503B]
20. Hui Yang, Yuan Xie, Guisong Hao, Weiwei Cai, Xingzhong Guo.  (2015)  Preparation of porous alumina microspheres via an oil-in-water emulsion method accompanied by a sol–gel process.  NEW JOURNAL OF CHEMISTRY,  40  (1): (589-595).  [PMID:] [10.1039/C5NJ02509E]
21. Guo Xingzhong, Hao Guisong, Xie Yuan, Cai Weiwei, Yang Hui.  (2015)  Preparation of porous zirconia microspheres via emulsion method combined with phase separation.  JOURNAL OF SOL-GEL SCIENCE AND TECHNOLOGY,  76  (3): (651-657).  [PMID:] [10.1007/s10971-015-3817-y]
22. Wei-Wei Cai, Hui Yang, Xing-Zhong Guo.  (2013)  A facile one-step route to synthesize titania hollow microspheres with incontinuous multicavities.  CHINESE CHEMICAL LETTERS,      [PMID:] [10.1016/j.cclet.2013.12.002]
23. Liu W. L., Wang L., Zhang L. D., Xu W. H., Chen S. H., Wang X. Q., Duan X. L..  (2012)  Superhydrophobic surface by immobilization of polystyrene on vinyl-modified titania nanoparticles.  JOURNAL OF SOL-GEL SCIENCE AND TECHNOLOGY,  62  (3): (424-431).  [PMID:] [10.1007/s10971-012-2744-4]
24. Satish Gudala, Miao Dong, Xinrui Lin, Ruotong Liu, Annadurai Vinothkanna, Anubhuti Jha, Archi Sharma, Dazhuang Wang, Xinghua Liu, Jianxin Yang.  (2024)  1,2,4-Triazolo-quinazolinones as Effective Antifoulants: Molecular Design, Synthesis, and Biological Evaluation.  LANGMUIR,      [PMID:39012063] [10.1021/acs.langmuir.4c01393]
25. Wei Liu, Yu-Qing Zhang, Zhen-Lin Dong, Zi-Xuan Chen, Lei Li, Xin-Yuan Zhao, Yang Wu, Yu-Yang Zhang.  (2024)  An Efficient Bifunctional Core-Shell ZIF-90@ZIF-67 Composite as a Stable Pickering Interfacial Catalyst for the Deacetalization–Knoevenagel Tandem Reaction.  CHEMISTRY-A EUROPEAN JOURNAL,      [PMID:39498512] [10.1002/chem.202403363]
26. Chen Bo-Jiang, Wu Jian-Ping, Rukhsana, Xiang Fei-Yong, Shen Yong-Miao, Liang Xue-Zheng.  (2024)  Crosslinked Cation Exchange Resin with -SO3H Groups as an Efficient Solid Catalyst for the Ketalization of Ethyl Acetoacetate with Glycols.  KINETICS AND CATALYSIS,      [PMID:] [10.1134/S0023158423600852]
27. He Liu, Shixi Wang, Meng Xu, Kaiyue Zhang, Qian Gao, Hualei Wang, Dongzhi Wei.  (2024)  Engineering an (R)-selective transaminase for asymmetric synthesis of (R)-3-aminobutanol.  BIOORGANIC CHEMISTRY,      [PMID:38492494] [10.1016/j.bioorg.2024.107264]
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