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

CAS: 24680-50-0 Cat. No.: T135720 Fórmula: CH₃OC₆H₄CH=CHCHO Peso molecular: 162.19 Número CE: 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

Visão geral

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

Specifications

Sinónimos

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528770621

Sorrisos canónicos

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+

SMILES isoméricas

COC1=CC=C(C=C1)/C=C/C=O

WGK Alemanha

3

CAS alternativo

1963-36-6

PubChem CID

641294

Peso molecular

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
• Descrição: 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

Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

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Burkholderia cepacia (649 Activities)

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Enterobacter cloacae (7976 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Micrococcus luteus (7463 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Aspergillus niger (16508 Activities)

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Bacillus subtilis (32866 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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Abutilon theophrasti (831 Activities)

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Aspergillus parasiticus (296 Activities)

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Aspergillus sydowii (55 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water.
• Sensibilidade: air sensitive
• Ponto de inflamação (°F): 140 °F
• Ponto de inflamação (°C): 60 °C
• Ponto de ebulição (°C): 145°C/7mmHg
• Ponto de fusão (°C): 55-60 °C
• Peso molecular: 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