2,5-Diethoxybenzaldehyde - ≥97% , CAS No.4686-98-0

CAS: 4686-98-0 Cat. No.: D469243 Fórmula: (C₂H₅O)₂C₆H₃CHO Peso molecular: 194.23 Número CE: 185-177-3

GRADE & PURITY ≥97%

Synonyms

UGNJILDLOHTRMK-UHFFFAOYSA-N | 2,5-Diethoxybenzaldehyde, 97% | 2,5-Diethoxybenzaldehyde | MFCD02093696 | AKOS003809429 | SCHEMBL271557 | DTXSID30392445

Storage

Room temperature

Specifications

Sinónimos

UGNJILDLOHTRMK-UHFFFAOYSA-N | 2,5-Diethoxybenzaldehyde, 97% | 2,5-Diethoxybenzaldehyde | MFCD02093696 | AKOS003809429 | SCHEMBL271557 | DTXSID30392445

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: CCOC1=CC(=C(C=C1)OCC)C=O
• IUPAC Name: 2,5-diethoxybenzaldehyde
• InChIKey: UGNJILDLOHTRMK-UHFFFAOYSA-N
• INCHI: 1S/C11H14O3/c1-3-13-10-5-6-11(14-4-2)9(7-10)8-12/h5-8H,3-4H2,1-2H3
• SMILES isoméricas: CCOC1=CC(=C(C=C1)OCC)C=O
• WGK Alemanha: 3
• Peso molecular: 194.23
• Reaxy-Rn: 1870746
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1870746&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Benzoyl - Benzaldehyde - Aryl-aldehyde - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Propriedades químicas e físicas

• Peso molecular: 194.230 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094 Da
• Monoisotopic Mass: 194.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 170.000
• 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

Referências

1. Zhikun Zhang, Bo Xin, Liwei Bai, Qingju Liu.  (2024)  Determination of ethephon residues in fruits using fluorescent covalent organic framework-based nanomaterials.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.107183]

2. Boya Wang, Liguo Shen, Jiujing Xu, Zi Yang, Yi Chen, Siyuan Chen, Bisheng Li, Cheng Chen, Hongjun Lin.  (2024)  Graphene oxide-assisted dispersion and assembly of photocatalytic self-cleaning MOF membrane for enhanced water purification.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.129928]

Perguntas frequentes

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.

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

The CAS Number is 4686-98-0, the molecular formula is (C2H5O)2C6H3CHO, and the molecular weight is 194.23 g/mol. InChIKey UGNJILDLOHTRMK-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.