Monoethyl Malonate - ≥98%(T) , CAS No.1071-46-1

CAS: 1071-46-1 Cat. No.: M158864 Summenformel: C₅H₈O₄ Molekulargewicht: 132.12 EG-Nummer: 213-992-7

GRADE & PURITY ≥98%(T)

Synonyms

SCHEMBL15376 | Chir 258 | J-001717 | A801594 | DBV hydrochloride | hydrogen ethyl malonate | AKOS005206705 | BIX-02189(Random Configuration) | 2-(ethoxycarbonyl)acetic acid | malonic acid monoethylester | (Ethoxycarbonyl)acetic acid | STK802450 | FT-06261

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

SCHEMBL15376 | Chir 258 | J-001717 | A801594 | DBV hydrochloride | hydrogen ethyl malonate | AKOS005206705 | BIX-02189(Random Configuration) | 2-(ethoxycarbonyl)acetic acid | malonic acid monoethylester | (Ethoxycarbonyl)acetic acid | STK802450 | FT-06261

Spezifikationen & Reinheit

≥98%(T)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥98%(T)

Namen und Kennungen

Pubchem Sid

504754548

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754548

Kanonisches Lächeln

CCOC(=O)CC(=O)O

IUPAC Name

3-ethoxy-3-oxopropanoic acid

InChIKey

HGINADPHJQTSKN-UHFFFAOYSA-N

INCHI

1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7)

Isomere SMILES

CCOC(=O)CC(=O)O

WGK Deutschland

3

Molekulargewicht

132.12

Reaxy-Rn

1758845

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758845&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: 1,3-dicarbonyl compounds Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: aromatic carboxylic acid - pyridinemonocarboxylic acid

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with water, chloroform and other solvents.
• Empfindlichkeit: Moisture sensitive;Heat sensitive
• Brechungsindex: 1.435
• Flammpunkt (°F): 230°F
• Flammpunkt (°C): >110℃
• Siedepunkt (°C): 106.5 °C/3 mmHg
• Schmelzpunkt (°C): -13 °C
• Molekulargewicht: 132.110 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 132.042 Da
• Monoisotopic Mass: 132.042 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 118.000
• 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