Ethyl-2,5-diethoxybenzoate - ≥97% , CAS No.351002-97-6

CAS: 351002-97-6 Cat. No.: E340694 Formule: C₁₃H₁₈O₄ Poids moléculaire: 238.28

GRADE & PURITY ≥97%

Synonyms

Ethyl-2,5-diethoxybenzoate, 97% | VTTHMKXCMAWQTF-UHFFFAOYSA-N | SCHEMBL3999898 | DTXSID70393375 | Ethyl-2 5-diethoxybenzoate 97 | Ethyl-2,5-diethoxybenzoate | Ethyl 2,5-diethoxybenzoate | J-019902

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Ethyl-2,5-diethoxybenzoate, 97% | VTTHMKXCMAWQTF-UHFFFAOYSA-N | SCHEMBL3999898 | DTXSID70393375 | Ethyl-2 5-diethoxybenzoate 97 | Ethyl-2,5-diethoxybenzoate | Ethyl 2,5-diethoxybenzoate | J-019902

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488194435

Sourires canoniques

CCOC1=CC(=C(C=C1)OCC)C(=O)OCC

IUPAC Name

ethyl 2,5-diethoxybenzoate

InChIKey

VTTHMKXCMAWQTF-UHFFFAOYSA-N

INCHI

1S/C13H18O4/c1-4-15-10-7-8-12(16-5-2)11(9-10)13(14)17-6-3/h7-9H,4-6H2,1-3H3

Isomères SMILES

CCOC1=CC(=C(C=C1)OCC)C(=O)OCC

WGK Allemagne

3

Poids moléculaire

238.28

Reaxy-Rn

14750187

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14750187&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Carboxylic acid esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic 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

Propriétés chimiques et physiques

• Poids moléculaire: 238.280 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 238.121 Da
• Monoisotopic Mass: 238.121 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 229.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). 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 351002-97-6, the molecular formula is C13H18O4, and the molecular weight is 238.28 g/mol. InChIKey VTTHMKXCMAWQTF-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.