3-Pentanone - analytical standard, for environmental analysis, ≥99.5%(GC) , CAS No.96-22-0

CAS: 96-22-0 Cat. No.: P103794 Fórmula: C5H10O Peso molecular: 86.13 Beilstein Registry Number: 635749 Número CE: 202-490-3
Disponível para encomenda
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. for Environmental analysis ? Environmental-analysis grade — low background for trace pollutants in water/soil/air. Use in environmental testing where contamination skews trace results. ≥99.5%(GC)
Synonyms
3-PENTANONE|Pentan-3-one|Diethyl ketone|96-22-0|Dimethylacetone|Methacetone|Propione|Ethyl ketone|Metacetone|Diethylcetone|DIETHYLKETONE|Pentanone-3|Ethyl propionyl|NSC 8653|9SLZ98M9NK|DEK|DTXSID6021820|CHEBI:87755|NSC-8653|3-PENTANONE-1,1,1,5,5,5-D6|Diet
Storage
Room temperature,Desiccated
Shipped In
FedEx DG Service
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Size
Alemanha (EU)
USA*
Price
Qty
1g
P103794-1g
—
1 Em stock

78,01€

91,89€
Gravar 13,88 € (15.11%)
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Why this grade

analytical standard, for environmental analysis, ≥99.5%(GC) Analytical standard,for Environmental analysis for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature,Desiccated Ships FedEx DG Service 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.

📚

Literature proof

Cited in 20 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
3-PENTANONE | Pentan-3-one | Diethyl ketone | 96-22-0 | Dimethylacetone | Methacetone | Propione | Ethyl ketone | Metacetone | Diethylcetone | DIETHYLKETONE | Pentanone-3 | Ethyl propionyl | NSC 8653 | 9SLZ98M9NK | DEK | DTXSID6021820 | CHEBI:87755 | NSC-8653 | 3-PENTANONE-1,1,1,5,5,5-D6 | Diet
Especificações e pureza
analytical standard, for environmental analysis, ≥99.5%(GC)
Condições de armazenamento de armazenamento
Room temperature,Desiccated
Enviado em
FedEx DG Service
Grau
Analytical standard, for Environmental analysis
Pureza
≥99.5%(GC)
Nomes e identificadores
Pubchem Sid528758430
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/528758430
Sorrisos canónicosCCC(=O)CC
IUPAC Namepentan-3-one
InChIKeyFDPIMTJIUBPUKL-UHFFFAOYSA-N
INCHI1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
SMILES isoméricas CCC(=O)CC
WGK Alemanha 1
RTECS SA8050000
Número UN 1156
Grupo de embalagem II
Peso molecular 86.13
Beilstein 635749
Reaxy-Rn 635749
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635749&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.

Look up COA →

📊 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 oxygen compounds
ClasseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Not available
Direct ParentKetones
Alternative Parents Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
External Descriptors a ketone
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
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.

2 results found

Lot NumberCertificate TypeDataItem
L2103650Certificate of AnalysisJun 11, 2025 P103794
H2127566Certificate of AnalysisJun 05, 2023 P103794
Propriedades químicas e físicas
Índice de refração1.392
Ponto de inflamação (°F)44.6℉
Ponto de inflamação (°C)7℃
Ponto de ebulição (°C)101.5°C
Ponto de fusão (°C)-42°C
Peso molecular86.130 g/mol
XLogP30.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass86.0732 Da
Monoisotopic Mass86.0732 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count6
Formal Charge0
Complexity41.900
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
FAQs e artigos
Citations of This Product
Referências
1. Mengyang Liu, Bin Gu, Jingmei Li, Huangzhao Wei, Weiyang Xue, Yukun Jiang, Chenglin Sun.  (2023)  Synergistic Effect Enhancing Baeyer-Villiger Oxidation Performance of Resin-Derived-Carbon Supported FeCe Bimetallic Catalyst.  ChemCatChem,  15  (21): (e202300852).  [PMID:] [10.1002/cctc.202300852]
2. Yanru Zhang, Jingjing Zhang, Ying Wang, Yang Li, Jun He, Yanyan Wang, Longbo Zhang, Zhenpeng Wang, Qingli Qian, Buxing Han.  (2023)  Synthesis of Carboxylic Acids via Reaction of Ketones/Aldehydes with CO2 and H2.  ORGANOMETALLICS,      [PMID:] [10.1021/acs.organomet.3c00294]
3. Yuan Zhang, Yongshuai Wang, Hongyou Cui, Fang Wang, Zhihe Li, Changhua Sun, Yun Jia, Yujiao Xie, Feng Song, Jiangang Wang, Weiming Yi.  (2023)  Co-pyrolysis of biomass with Red Mud: An efficient approach to improving bio-oil quality and resourceful utilization of the iron in Red Mud.  FUEL,      [PMID:] [10.1016/j.fuel.2023.129482]
4. Jingwei Cao, Hongyue Guo, Qingsong Li.  (2023)  Experimental Determination and Thermodynamic Modeling of Liquid–Liquid Equilibrium for the Ternary Mixture System: Water + 3-Pentanone + Different Solvents at 308.2 K under 101.3 kPa.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.3c00285]
5. Shanshan Shao, Pengfei Zhang, Xianliang Xiang, Xiaohua Li, Huiyan Zhang.  (2022)  Promoted ketonization of bagasse pyrolysis gas over red mud-based oxides.  RENEWABLE ENERGY,      [PMID:] [10.1016/j.renene.2022.02.105]
6. Yiwen Cao, Shenjie Zhu, Lin Zhang, Qun Cui, Haiyan Wang.  (2021)  Qualitative and quantitative determination of trace aldehydes and ketones in food preservative propionic acid for quality improvement.  Analytical Methods,  13  (26): (2989-2996).  [PMID:34124731] [10.1039/D1AY00742D]
7. Xue Li, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2020)  Covalent coupling fabrication of microporous organic network bonded capillary columns for gas chromatographic separation.  TALANTA,      [PMID:33379116] [10.1016/j.talanta.2020.121914]
8. Wan-Xia Wu.  (2020)  Lipase-catalyzed synthesis and post-polymerization modification of new fully bio-based poly(hexamethylene γ-ketopimelate) and poly(hexamethylene γ-ketopimelate-co-hexamethylene adipate) copolyesters.  E-POLYMERS,  20  (1): (214-225).  [PMID:] [10.1515/epoly-2020-0016]
9. Hui Shen, Mingquan Huang, Mouming Zhao, Weizheng Sun.  (2019)  Interactions of selected ketone flavours with porcine myofibrillar proteins: The role of molecular structure of flavour compounds.  FOOD CHEMISTRY,      [PMID:31261004] [10.1016/j.foodchem.2019.125060]
10. Zhao Yang, Wenhan Chen, Jinbao Zheng, Zhiqing Yang, Nuowei Zhang, Chuan-Jian Zhong, Bing Hui Chen.  (2018)  Efficient low-temperature hydrogenation of acetone on bimetallic Pt-Ru/C catalyst.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2018.04.011]
11. Yufei Wu, Jie Hou, Yuliang Liu, Mingfu Zhang, Chen-Ho Tung, Yifeng Wang.  (2016)  Chemoselective Claisen–Schmidt bis-substitutional condensation catalyzed by an alkoxy-bridged dinuclear Ti(IV) cluster.  TETRAHEDRON,      [PMID:] [10.1016/j.tet.2016.01.055]
12. Ye-Yu Wu, Cheng-Xiong Yang, Xiu-Ping Yan.  (2015)  An in situ growth approach to the fabrication of zeolite imidazolate framework-90 bonded capillary column for gas chromatography separation.  ANALYST,  140  (9): (3107-3112).  [PMID:25742491] [10.1039/C5AN00077G]
13. Yunzi Feng, Guowan Su, Haifeng Zhao, Yu Cai, Chun Cui, Dongxiao Sun-Waterhouse, Mouming Zhao.  (2014)  Characterisation of aroma profiles of commercial soy sauce by odour activity value and omission test.  FOOD CHEMISTRY,      [PMID:25148982] [10.1016/j.foodchem.2014.06.057]
14. Hong-Hui Shu, Yun Liu, Sheng-Li Han, Xiuqin Fang, Chang Wang, Cheng-Mei Liu.  (2024)  A novel amine-first strategy suitable for pre-paring both functional and engineering bi-opolyamides: Furfurylamine as the sole furan source of bisfu-ranic dia-mine/diacid monomers.  Polymer Chemistry,      [PMID:] [10.1039/D4PY00567H]
15. Mengmeng Ji, Yi Chen, Yufei Hu, Gongke Li.  (2024)  Rapid differentiation of coffee bean origin by ketones-based cyclic cataluminescence method.  TALANTA,      [PMID:39613488] [10.1016/j.talanta.2024.127261]
16. Yuxin Wang, Hengyi Xu, Bo Sui, Hui Xi, Yingjie Fu, Wuduo Zhao, Peng Li, Shihao Sun, Dingzhong Wang, Jianxun Zhang.  (2024)  Self-aspiration sampling design for rapid analyses of volatile organic compounds based on atmospheric pressure chemical ionization/photoionization combined ionization source mass spectrometry.  Analytical Methods,      [PMID:38450684] [10.1039/D4AY00019F]
17. Yunzi Feng, Yu Cai, Guowan Su, Haifeng Zhao, Chenxia Wang, Mouming Zhao.  (2013)  Evaluation of aroma differences between high-salt liquid-state fermentation and low-salt solid-state fermentation soy sauces from China.  FOOD CHEMISTRY,      [PMID:24128458] [10.1016/j.foodchem.2013.07.072]
18. Jiyao Wang, Ruina Zhang, Shihao Li, Binghang Du, Xiaohao Wang, Kai Ni.  (2025)  Achieving Improved Ion Swarm Shaping Based on Ion Leakage Control in Ion Mobility Spectrometry.  ANALYTICAL CHEMISTRY,      [PMID:40267116] [10.1021/acs.analchem.4c05889]
19. Qingrui Zeng, Ziang Jia, Yingyang Song, Yiwen Fan, Xu Liu, Jinping Cheng.  (2025)  Novel ketone-based IPDA phase change absorbents for highly efficient wide-concentration-range CO2 capture and low-energy regeneration.  Engineering,      [PMID:] [10.1016/j.eng.2025.05.008]
20. Zhipeng Su, Xueyin Zhang, Haiwei Li, Pingchuan Sun, Tiehong Chen.  (2026)  Hydrophobic, Nitrogen-Free Organic Molecule-Protected Alkali Desilication for Hierarchical Zeolites with High Crystallinity and Porosity.  LANGMUIR,      [PMID:41775675] [10.1021/acs.langmuir.5c06631]
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