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
★
Size
USA
Alemanha (EU)*
Price
Qty
1g
P103794-1g
1 Em stock
—

89,90US$

105,90US$
Gravar 16,00 US$ (15.11%)
Enter a quantity for the sizes you want to add.
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Why this grade

analytical standard, for environmental analysis, ≥99.5%(GC) Padrão analítico,para análise ambiental for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Desiccated Ships FedEx DG Service Check lot-specific COA for exact specifications.

📋

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
Padrão analítico, para análise ambiental
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
Calculadoras de soluções
Revisões

Avaliações dos Clientes

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