Methyl acetopyruvate - ≥98% , CAS No.20577-61-1

CAS: 20577-61-1 Cat. No.: M132958 분자식: C₆H₈O₄ 분자량: 144.13 EC 번호: 243-891-3

GRADE & PURITY ≥98%

Synonyms

Methyl 2,4-dioxopentanoate | Methyl acetopyruvate | F0001-0730 | Pentanoic acid, 2,4-dioxo-, methyl ester | STK397839 | 2,4-Dioxo-pentanoic acid methyl ester | EN300-21748 | MFCD00043638 | AMY3225 | 3-Hydroxy-alpha-Methyl-D-Tyrosine | J-013434 | methyl ac

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

동의어

Methyl 2,4-dioxopentanoate | Methyl acetopyruvate | F0001-0730 | Pentanoic acid, 2,4-dioxo-, methyl ester | STK397839 | 2,4-Dioxo-pentanoic acid methyl ester | EN300-21748 | MFCD00043638 | AMY3225 | 3-Hydroxy-alpha-Methyl-D-Tyrosine | J-013434 | methyl ac

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 488186505
• 정식 스마일: CC(=O)CC(=O)C(=O)OC
• IUPAC Name: methyl 2,4-dioxopentanoate
• InChIKey: OMHOEQINEXASKE-UHFFFAOYSA-N
• INCHI: 1S/C6H8O4/c1-4(7)3-5(8)6(9)10-2/h3H2,1-2H3
• 이성체 SMILES: CC(=O)CC(=O)C(=O)OC
• WGK 독일: 3
• 분자량: 144.13
• Reaxy-Rn: 606679
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606679&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Keto acids and derivatives
      • Subclass Gamma-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Keto acids and derivatives
• Subclass: Gamma-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-Acylpyruvic acids
• Alternative Parents: Fatty acid esters Beta-diketones Alpha-keto acids and derivatives Methyl esters Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 3-acylpyruvic acid - Fatty acid ester - 1,3-diketone - Alpha-keto acid - 1,3-dicarbonyl compound - Fatty acyl - Methyl ester - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as 3-acylpyruvic acids. These are compounds containing a pyruvic acid substituted at the 3-position by an acyl group.
• External Descriptors: Not available

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

화학 및 물리적 특성

• 감도: Light & Heat & Moisture sensitive
• 녹는점(°C): 60-65°C
• 분자량: 144.120 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 144.042 Da
• Monoisotopic Mass: 144.042 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 171.000
• 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

자주 묻는 질문

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, protected from light, 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 20577-61-1, the molecular formula is C6H8O4, and the molecular weight is 144.13 g/mol. InChIKey OMHOEQINEXASKE-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.