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

CAS: 10031-82-0 Cat. No.: E137923 Molecular Weight: 150.17 Beilstein Registry Number: 386863 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488182927
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182927
• Canonical Smiles: 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
• Isomeric SMILES: CCOC1=CC=C(C=C1)C=O
• WGK Germany: 2
• RTECS: CU6100000
• Molecular Weight: 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
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Insoluble in water
• Sensitivity: Air sensitive
• Refractive Index: 1.56
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 75°C
• Boil Point(°C): 255°C
• Melt Point(°C): 14°C
• Molecular Weight: 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

References

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]