4-Ethylbenzaldehyde - Moligand™, ≥97% , CAS No.4748-78-1

CAS: 4748-78-1 Cat. No.: E102795 분자식: C₂H₅C₆H₄CHO 분자량: 134.18 Beilstein Registry Number: 7307 EC 번호: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

4-Ethylbenzaldehyde is an aldehyde type organic compound with an almond-like odor. 4-Ethylbenzaldehyde is naturally present in various foods such as grilled meat, black tea, peanuts, etc. 4-Ethylbenzaldehyde has significant effects in controlling plant parasitic nematodes. 4-Ethylbenzaldehyde has genotoxicity and potential for liver damage in zebrafish models.

Specifications

동의어

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

사양 및 순도

Moligand™, ≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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등급

Moligand™

순수함

≥97%

이름과 식별자

• Pubchem Sid: 488182649
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182649
• 정식 스마일: 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
• 이성체 SMILES: CCC1=CC=C(C=C1)C=O
• WGK 독일: 3
• 분자량: 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
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 감도: Air sensitive
• 굴절률: 1.539
• 발화점(°F): 197.6 °F
• 발화점(°C): 92°C
• 끓는점(°C): 221°C
• 분자량: 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

참고 문헌

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]

6. Junhan Li, Chao Zhou, Shujia Wang, Jingwen Xu, Zhida Gao, Yong Zhang, Yan-Yan Song.  (2026)  Slow-Photon-Amplified Charge-Transfer SERS in MOF Photonic Crystals for Plasmon-Free Ultrasensitive Molecular Barcoding.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.76753]