4-Ethoxybenzaldehyde - ≥98%(GC) , CAS No.10031-82-0

CAS: 10031-82-0 Cat. No.: E137923 Fórmula: C₂H₅OC₆H₄CHO Peso molecular: 150.17 Beilstein Registry Number: 386863 Número CE: 233-093-3

GRADE & PURITY ≥98%(GC)

Synonyms

4-ETHOXYBENZALDEHYDE | 4-ethoxy-benzaldehyde | F0913-0490 | STL282399 | UNII-GOW1H0F49A | EN300-16097 | EINECS 233-093-3 | para-ethoxybenzaldehyde | P-ETHOXYBENZALDEHYDE [FHFI] | Z53833126 | Benzaldehyde, 4-ethoxy- | 4-08-00-00254 (Beilstein Handbook Refe

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

An antiinflammatory compound
4-Ethoxybenzaldehyde can be used as an anti-inflammatory and prostaglandin E2 suppressor.

application：

4-Ethoxybenzaldehyde can be used as an anti-inflammatory and prostaglandin E2 suppressor. benzaldehyde-derived anti-inflammatory agents may be useful in reducing facial erythema.

Specifications

Sinónimos

4-ETHOXYBENZALDEHYDE | 4-ethoxy-benzaldehyde | F0913-0490 | STL282399 | UNII-GOW1H0F49A | EN300-16097 | EINECS 233-093-3 | para-ethoxybenzaldehyde | P-ETHOXYBENZALDEHYDE [FHFI] | Z53833126 | Benzaldehyde, 4-ethoxy- | 4-08-00-00254 (Beilstein Handbook Refe

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 488182927
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182927
• Sorrisos canónicos: CCOC1=CC=C(C=C1)C=O
• IUPAC Name: 4-ethoxybenzaldehyde
• InChIKey: JRHHJNMASOIRDS-UHFFFAOYSA-N
• INCHI: 1S/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3
• SMILES isoméricas: CCOC1=CC=C(C=C1)C=O
• WGK Alemanha: 2
• RTECS: CU6100000
• Peso molecular: 150.17
• Beilstein: 386863
• Reaxy-Rn: 386863
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386863&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

• Solubilidade: Insoluble in water
• Sensibilidade: Air sensitive
• Índice de refração: 1.56
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 75°C
• Ponto de ebulição (°C): 255°C
• Ponto de fusão (°C): 14°C
• Peso molecular: 150.170 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 115.000
• 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. Rui Chen, Qiuyue Li, Kai Xu, Zhiwei Zhang, Tianhua Wang, Jinkang Ma, Yan Xi, Lifeng Cao, Bing Teng, Haitao Wu.  (2022)  Molecular structure, vibrational spectroscopy (FT-IR, Raman), solvent effects, molecular docking and DFT studies of 1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-prop-2-en-1-one.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2022.133660]

2. An Ran, Xu Xiangdong, Li Bingxuan, Han Jun, Sun Ruiliang, Zhang Mingang, Jiang Yadong.  (2024)  A new neutral organic material DMPO with ultra-strong second-order nonlinear response and excellent anti-deliquescence.  Science China-Materials,  67  (7): (2285-2292).  [PMID:] [10.1007/s40843-024-2949-2]