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

등급 & 순도 Moligand™, ≥97%

Synonyms

4-ethyl benzaldehyde|p-Ethylbenzaldehyde|p-ethyl-benzaldehyde|Benzaldehyde, P-ethyl-|Benzaldehyde, 4-ethyl-|4-ETHYLBENZALDEHYDE|4-EthYl-Benzaldehyde|4-ETHYLBENZALDEHYDE [FHFI]|Ethyl-benzaldehyde|Ethyl benzaldehyde|p-Ethylbenzaldehyde, d|BENZALDEHYDE,4-ETHYL|Ethylbenzaldehyde, p-

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.

사양

동의어

4-ethyl benzaldehyde | p-Ethylbenzaldehyde | p-ethyl-benzaldehyde | Benzaldehyde, P-ethyl- | Benzaldehyde, 4-ethyl- | 4-ETHYLBENZALDEHYDE | 4-EthYl-Benzaldehyde | 4-ETHYLBENZALDEHYDE [FHFI] | Ethyl-benzaldehyde | Ethyl benzaldehyde | p-Ethylbenzaldehyde, d | BENZALDEHYDE,4-ETHYL | Ethylbenzaldehyde, p-

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