4-エチルベンズアルデヒド - Moligand™, ≥97% , CAS No.4748-78-1

CAS: 4748-78-1 Cat. No.: E102795 分子式: C₂H₅C₆H₄CHO 分子量: 134.18 Beilstein Registry Number: 7307 EC番号: 225-268-8

GRADE & PURITY Moligand™, ≥97%

Synonyms

4-Ethylbenzaldehyde, analytical standard | FEMA No. 3756 | 4-ethyl benzaldehyde | FT-0618399 | FT-0651915 | CAS-4748-78-1 | p-Ethylbenzaldehyde | p-ethyl-benzaldehyde | 289PPW3SG4 | A827244 | Q4637128 | E0325 | SY010642 | BDBM85650 | DTXSID0047080 | Benza

Storage

2-8℃で保管、アルゴン充填

Shipped In

濡れた氷

概要

4-エチルベンズアルデヒドは消毒の副生成物である。キノコチロシナーゼのジフェノラーゼ活性阻害に対する4-エチルベンズアルデヒドの速度定数（KI）を調べた。
4-エチルベンズアルデヒドはマイクロ波照射下での4,4′-ジアミノトリフェニルメタンの合成に用いられ、並行ライブラリー合成に有用である。

Specifications

同義語

4-Ethylbenzaldehyde, analytical standard | FEMA No. 3756 | 4-ethyl benzaldehyde | FT-0618399 | FT-0651915 | CAS-4748-78-1 | p-Ethylbenzaldehyde | p-ethyl-benzaldehyde | 289PPW3SG4 | A827244 | Q4637128 | E0325 | SY010642 | BDBM85650 | DTXSID0047080 | Benza

仕様と純度

Moligand™, ≥97%

保管条件

2-8℃で保管、アルゴン充填

入荷

濡れた氷

等級

Moligand™

純度

≥97%

名前と識別子

• パブケム・シド: 488182649
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488182649
• カノニカル・スマイル: CCC1=CC=C(C=C1)C=O
• IUPAC Name: 4-ethylbenzaldehyde
• InChIKey: QNGNSVIICDLXHT-UHFFFAOYSA-N
• INCHI: 1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3
• 異性体SMILES: CCC1=CC=C(C=C1)C=O
• WGKドイツ: 3
• 分子量: 134.18
• Beilstein: 7307
• Reaxy-Rn: 636027
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636027&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

作用メカニズム

化学的性質と物理的性質

• 感度: Air sensitive
• 屈折率: 1.539
• 引火点（°F）: 197.6 °F
• 引火点（°C）: 92°C
• 沸点（°C）: 221°C
• 分子量: 134.170 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 134.073 Da
• Monoisotopic Mass: 134.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 101.000
• 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

参考文献

1. Pan Wang, Na Zhang, Li-Lin Zhou, Sheng-Yun Si, Chao-Liang Lei, Hui Ai, Xiao-Ping Wang.  (2014)  Antennal and behavioral responses of female Maruca vitrata to the floral volatiles of Vigna unguiculata and Lablab purpureus.  ENTOMOLOGIA EXPERIMENTALIS ET APPLICATA,  152  (3): (248-257).  [PMID:] [10.1111/eea.12216]

2. Yimeng Ren, Longzhu Zhou, Yujie Shi, Yanan Yu, Weihai Xing, Qingyu Zhao, Junmin Zhang, Yueyu Bai, Jing Li, Chaohua Tang.  (2024)  Effect of alterations in phospholipids and free fatty acids on aroma-active compounds in instant-boiled chuck tender, sirloin and silverside beef.  Heliyon,      [PMID:39253161] [10.1016/j.heliyon.2024.e36382]

3. Chen Wang, Dianxuan Wang, Fangfang Zeng, Liang Chen, Xinxin Zhao, Xi Zhu, Junji Yao, Yihan Li.  (2024)  Identification on Key Volatiles Contributed to Oviposition Preference of Plodia interpunctella (Hübner, 1813) (Lepidoptera: Pyralidae) from High and Normal Oleic Varieties of Peanut.  Insects,  15  (11): (866).  [PMID:39590465] [10.3390/insects15110866]

4. Zixuan Wang, Wei Ran, Juan Shen, Yuanyuan Cao, Zhongzhong Wang, Simeng Zhang, Rongzhang Hao.  (2025)  SERS detection of lung cancer-related volatiles in exhaled breath utilizing size controllable Au NC@ZIF-8 core-shell nanoparticles.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.169009]

5. Xiaoyu Zhang, Zhi Yang, Mingyue Li, Min Li, Chengju Guo, Muhammad Saleem, Muhammad Zahid, Jianbao Liu, Shuai Qiu, Mei Liu.  (2026)  A Synergistic Enhancement Architecture Based on Porous MoOx Nanobowls for Ultrasensitive and Selective SERS Detection of Gaseous Aldehydes.  Laser & Photonics Reviews,      [PMID:] [10.1002/lpor.202503240]

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