trans-4-Methoxycinnamaldehyde - ≥98% , CAS No.24680-50-0

CAS: 24680-50-0 Cat. No.: T135720 Formula: CH₃OC₆H₄CH=CHCHO Peso molecolare: 162.19 Numero EC: 679-263-4 PubChem CID: 641294

GRADE & PURITY ≥98%

Synonyms

trans-p-Methoxycinnamaldehyde | (E)-3-(4-Methoxyphenyl)acrylaldehyde | 4-Methoxycinnamaldehyde | trans-4-Methoxycinnamaldehyde | 3-(4-methoxyphenyl)acrylaldehyde|p-Methoxycinnamaldehyde | 3-(4-methoxyphenyl)acrylaldehyde | (E)-4-Methoxycinnamaldehyde | (E

Storage

Argon charged,Room temperature

Shipped In

Normal

Panoramica

trans-p-Methoxycinnamaldehyde is an aromatic aldehyde reported to be found in Korean mint.

Specifications

Sinonimi

trans-p-Methoxycinnamaldehyde | (E)-3-(4-Methoxyphenyl)acrylaldehyde | 4-Methoxycinnamaldehyde | trans-4-Methoxycinnamaldehyde | 3-(4-methoxyphenyl)acrylaldehyde | p-Methoxycinnamaldehyde | 3-(4-methoxyphenyl)acrylaldehyde | (E)-4-Methoxycinnamaldehyde | (E

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528770621
• Sorrisi canonici: COC1=CC=C(C=C1)C=CC=O
• IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enal
• InChIKey: AXCXHFKZHDEKTP-NSCUHMNNSA-N
• INCHI: 1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2+
• Isomeri SMILES: COC1=CC=C(C=C1)/C=C/C=O
• WGK Germania: 3
• CAS alternativo: 1963-36-6
• PubChem CID: 641294
• Peso molecolare: 162.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamaldehydes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamaldehydes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamaldehydes
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Enals Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamaldehyde - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated aldehyde - Enal - Ether - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.
• External Descriptors: cinnamaldehydes

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

Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

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Escherichia coli (133304 Activities)

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Pichia kudriavzevii (7448 Activities)

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Candida albicans (78123 Activities)

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Trichophyton rubrum (3646 Activities)

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Rattus norvegicus (775804 Activities)

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Aspergillus parasiticus (296 Activities)

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Aspergillus sydowii (55 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Sensibilità: air sensitive
• Punto di infiammabilità (°F): 140 °F
• Punto di infiammabilità (°C): 60 °C
• Punto di ebollizione (°C): 145°C/7mmHg
• Punto di fusione (°C): 55-60 °C
• Peso molecolare: 162.180 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 162.068 Da
• Monoisotopic Mass: 162.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 155.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Yangyang Zhou, Chen Chen, Qiling Li, Yanbo Liu, Ting Wei, Youzhen Liu, Zebing Zeng, Darren Bradshaw, Bing Zhang, Jia Huo.  (2022)  Precise control of selective hydrogenation of α,β-unsaturated aldehydes in water mediated by ammonia borane.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2022.121348]