Diethyl 2-Ethyl-2-methylmalonate - ≥97%(GC) , CAS No.2049-70-9

CAS: 2049-70-9 Cat. No.: D154222 Formula: C₁₀H₁₈O₄ Molecular Weight: 202.25 Beilstein Registry Number: 2(3)1735

GRADE & PURITY ≥97%(GC)

Synonyms

2-Ethyl-2-methylmalonic acid diethylester | DTXSID50174462 | Propanedioic acid, ethylmethyl-, diethyl ester | UNII-R6V9A28YP8 | D3630 | Propanedioic acid, 2-ethyl-2-methyl-, 1,3-diethyl ester | Diethyl 2-ethyl-2-methylmalonate | DIETHYL ETHYLMETHYLMALONAT

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Ethyl-2-methylmalonic acid diethylester | DTXSID50174462 | Propanedioic acid, ethylmethyl-, diethyl ester | UNII-R6V9A28YP8 | D3630 | Propanedioic acid, 2-ethyl-2-methyl-, 1,3-diethyl ester | Diethyl 2-ethyl-2-methylmalonate | DIETHYL ETHYLMETHYLMALONAT

Specifications & Purity

≥97%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

Canonical Smiles

CCC(C)(C(=O)OCC)C(=O)OCC

IUPAC Name

diethyl 2-ethyl-2-methylpropanedioate

InChIKey

ODRGILDUWDVBJX-UHFFFAOYSA-N

INCHI

1S/C10H18O4/c1-5-10(4,8(11)13-6-2)9(12)14-7-3/h5-7H2,1-4H3

Isomeric SMILES

CCC(C)(C(=O)OCC)C(=O)OCC

Molecular Weight

202.25

Beilstein

2(3)1735

Reaxy-Rn

1777684

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1777684&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Chemical and Physical Properties

• Refractive Index: 1.42
• Boil Point(°C): 79°C/5mmHg(lit.)
• Molecular Weight: 202.250 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 202.121 Da
• Monoisotopic Mass: 202.121 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 192.000
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 2049-70-9, the molecular formula is C10H18O4, and the molecular weight is 202.25 g/mol. InChIKey ODRGILDUWDVBJX-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.