Glycidic Acid Methyl Ester - ≥98% , CAS No.4538-50-5

CAS: 4538-50-5 Cat. No.: G303748 Molecular Weight: 102.09 EC Number: 610-247-1

GRADE & PURITY ≥98%

Synonyms

methyl oxirane-2-carboxylate|4538-50-5|Glycidic acid methyl ester|Methyl glycidate|Oxiranecarboxylic acid, methyl ester|methyl 2,3-epoxypropionate|Methyl-2,3-epoxypropanoate|MFCD17676228|Cucurbitaceae|bitter cucumber|Methyl (2S)-2,3-epoxypropanoate|MFCD00

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

methyl oxirane-2-carboxylate | 4538-50-5 | Glycidic acid methyl ester | Methyl glycidate | Oxiranecarboxylic acid, methyl ester | methyl 2, 3-epoxypropionate | Methyl-2, 3-epoxypropanoate | MFCD17676228 | Cucurbitaceae | bitter cucumber | Methyl (2S)-2, 3-epoxypropanoate | MFCD00

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504757291
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757291
• Canonical Smiles: COC(=O)C1CO1
• IUPAC Name: methyl oxirane-2-carboxylate
• InChIKey: YKNYRRVISWJDSR-UHFFFAOYSA-N
• INCHI: 1S/C4H6O3/c1-6-4(5)3-2-7-3/h3H,2H2,1H3
• Isomeric SMILES: COC(=O)C1CO1
• Molecular Weight: 102.09
• Reaxy-Rn: 1281012
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1281012&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Epoxides
      • Subclass Oxirane carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Epoxides
• Subclass: Oxirane carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxirane carboxylic acids
• Alternative Parents: Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxirane carboxylic acid - Methyl ester - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oxirane carboxylic acids. These are compounds containing an oxirane ring bearing a carboxylic acid 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

Chemical and Physical Properties

• Solubility: Chloroform (Slightly), Methanol (Slightly)
• Melt Point(°C): >300°C
• Molecular Weight: 102.090 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 102.032 Da
• Monoisotopic Mass: 102.032 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 88.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1