Acetylacetone - Standard for GC, ≥99.6%(GC) , CAS No.123-54-6

CAS: 123-54-6 Cat. No.: A110366 Formula: C₅H₈O₂ Peso molecolare: 100.12 Beilstein Registry Number: 741937 Numero EC: 204-634-0

QUALITÀ & PUREZZA Standard for GC, ≥99.6%(GC)

Synonyms

2,4-Dioxopentane|Acetylacetone;Pentane-2,4-dione|pentan-2|Pentane-2,4-dione [UN2310] [Flammable liquid]|Acetylacetone|acetyl-acetone|2,4-Pentandione|ACETYL ACETONE|Pentan-2,4-dione|ACAC|2,4-Pentadione|ACETYLACETONE [MI]|Acetyl-2-Propanone|2,4-Pentanedione|2,4-pentane-dione|Acetyl 2-propanone|2.4-pentanedione|ACETYL ACETONE [HSDB]|2,4-pentane dione|Acetoacetone|Pentanedione|ACETYLACETONE ENOL|4-Hydroxy-3-penten-2-one|Pentanedione-2,4|Hacac|Pentane-2,4-dione [UN2310] [Flammable liquid]|2-Propanone, acetyl-|Acetylaceetone|2,4 pentanedione|Acetone, acetyl-|Pentane-2,4-dione|pentane2,4-dione|pentane-2|Acetyl-2-propaneone|acetylaceton|1-methylbutane-1,3-dione

Storage

Protected from light,Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifiche

Sinonimi

2,4-Dioxopentane | Acetylacetone;Pentane-2,4-dione | pentan-2 | Pentane-2,4-dione [UN2310] [Flammable liquid] | Acetylacetone | acetyl-acetone | 2,4-Pentandione | ACETYL ACETONE | Pentan-2,4-dione | ACAC | 2,4-Pentadione | ACETYLACETONE [MI] | Acetyl-2-Propanone | 2,4-Pentanedione | 2,4-pentane-dione | Acetyl 2-propanone | 2.4-pentanedion Mostra altro

Specifiche e purezza

Standard for GC, ≥99.6%(GC)

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Desiccated

Spedito in

FedEx DG Service

Grado

Standard for GC

Purezza

≥99.6%(GC)

Nomi e identificatori

Pubchem Sid

508811856

Sorrisi canonici

CC(=O)CC(=O)C

IUPAC Name

pentane-2,4-dione

InChIKey

YRKCREAYFQTBPV-UHFFFAOYSA-N

INCHI

1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3

Isomeri SMILES

CC(=O)CC(=O)C

WGK Germania

1

RTECS

SA1925000

CAS alternativo

1522-20-9

Numero UN

2310

Gruppo di imballaggio

III

Peso molecolare

100.12

Beilstein

741937

Reaxy-Rn

741937

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741937&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 1,3-dicarbonyl compounds
          • Level6 Beta-diketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: 1,3-dicarbonyl compounds
• Direct Parent: Beta-diketones
• Alternative Parents: Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-diketone - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

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TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

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MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

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MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

Discover Target: MMP8

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CES2 Tchem Carboxylesterase 2 (583 Activities)

Discover Target: CES2

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CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

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MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

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Obiettivi associati (non umani)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

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Mmp2 Matrix metalloproteinase-2 (12 Activities)

Discover Target: Mmp2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive.
• Indice di rifrazione: 1.4512
• Punto di infiammabilità (°F): 95.0 °F
• Punto di infiammabilità (°C): 35℃
• Punto di ebollizione (°C): 140.5°C
• Punto di fusione (°C): -23°C
• Peso molecolare: 100.120 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 82.300
• 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