2,3-Butanedione - ≥98% , CAS No.431-03-8

CAS: 431-03-8 Cat. No.: B104601 Summenformel: C₄H₆O₂ Molekulargewicht: 86.09 Beilstein Registry Number: 1769 EG-Nummer: 207-069-8

QUALITÄT & REINHEIT ≥98%

Synonyms

Buta-2,3-dione | Butane-2,3-dione | HSDB 297 | C00741 | dimethylglyoxal | F0001-1188 | 2,3-diketobutane | NCGC00090746-02 | SR-01000075811-1 | BDBM22725 | HMS3261M15 | 2,3-butanedione | EN300-19494 | FT-0609502 | NCGC00015336-04 | AKOS000118816 | NCGC0001

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Übersicht

2,3-Butanedione, a volatile compound, is a product of citrate metabolism that is generally produced by certain bacteria including Lactococcus lactis ssp. diacetylactis and Leuconostoc citrovorum. It has a typical buttery flavor and is commonly found in fermented dairy products, such as sour cream, yogurt and cottage cheese.

Inactivates aminopeptidase-N. Cyclocondensation with amines has been used to form triazine and pteridine ring systems. Also used as a precursor to α-diones.

Spezifikationen

Synonyme

Buta-2,3-dione | Butane-2,3-dione | HSDB 297 | C00741 | dimethylglyoxal | F0001-1188 | 2,3-diketobutane | NCGC00090746-02 | SR-01000075811-1 | BDBM22725 | HMS3261M15 | 2,3-butanedione | EN300-19494 | FT-0609502 | NCGC00015336-04 | AKOS000118816 | NCGC0001

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice,FedEx DG Service

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504750402

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750402

Kanonisches Lächeln

CC(=O)C(=O)C

IUPAC Name

butane-2,3-dione

InChIKey

QSJXEFYPDANLFS-UHFFFAOYSA-N

INCHI

1S/C4H6O2/c1-3(5)4(2)6/h1-2H3

Isomere SMILES

CC(=O)C(=O)C

WGK Deutschland

2

RTECS

EK2625000

UN-Nummer

2346

Verpackungsgruppe

II

Molekulargewicht

86.09

Beilstein

1769

Reaxy-Rn

605398

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605398&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Alpha-diketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Alpha-diketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-diketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha-diketones. These are organic compounds containing two ketone groups on two adjacent carbon atoms.
• 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

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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BCHE Tclin Butyrylcholinesterase (7174 Activities)

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ARSA Tbio Cerebroside-sulfatase (655 Activities)

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CES2 Tchem Carboxylesterase 2 (583 Activities)

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

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ACLY Tclin ATP-citrate synthase (168 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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THPO Tbio Thrombopoietin (834 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Impa1 Inositol monophosphatase 1 (16203 Activities)

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nfo Endonuclease 4 (425 Activities)

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crtY Lycopene cyclase (9 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with water.
• Empfindlichkeit: heat sensitive；air sensitive
• Brechungsindex: 1.394
• Flammpunkt (°C): 7 °C
• Siedepunkt (°C): 88°C
• Schmelzpunkt (°C): -4 °C
• Molekulargewicht: 86.090 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 86.0368 Da
• Monoisotopic Mass: 86.0368 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 71.500
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 431-03-8, the molecular formula is C4H6O2, and the molecular weight is 86.09 g/mol. InChIKey QSJXEFYPDANLFS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.