2-methoxycinnamaldehyde - ≥98% , CAS No.1504-74-1

CAS: 1504-74-1 Cat. No.: M414411 Formula: C₁₀H₁₀O₂ Peso molecolare: 162.19 Numero EC: 216-131-3

GRADE & PURITY ≥98%

Synonyms

O-METHOXYCINNAMALDEHYDE | O-Methoxy-Cinnamaldehyde | (E)-3-(2-methoxyphenyl)prop-2-enal | 2-Methoxycimnamaldehyde | 3-(2-Methoxyphenyl)-(2E)-2-propenal | A869043 | O-Methoxyphenyl acrolein, beta- | 2'-METHOXYCINNAMALDEHYDE (CONSTITUENT OF CINNAMOMUM CASSI

Storage

Room temperature

Panoramica

Information

2-methoxycinnamaldehyde (O-methoxycinnamaldehyde), found in ceylan cinnamon, is a flavouring ingredient.

Specifications

Sinonimi

O-METHOXYCINNAMALDEHYDE | O-Methoxy-Cinnamaldehyde | (E)-3-(2-methoxyphenyl)prop-2-enal | 2-Methoxycimnamaldehyde | 3-(2-Methoxyphenyl)-(2E)-2-propenal | A869043 | O-Methoxyphenyl acrolein, beta- | 2'-METHOXYCINNAMALDEHYDE (CONSTITUENT OF CINNAMOMUM CASSI

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

2-Methoxycinnamaldehyde (o-Methoxycinnamaldehyde) is a natural compound of Cinnamomum cassia, with antitumor activity. 2-Methoxycinnamaldehyde inhibits proliferation and induces apoptosis by mitochondrial membrane potential (ΔΨm) loss, activation of both

Condizioni di conservazione di stoccaggio

Room temperature

Tipo di azione

ACTIVATOR

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488190920
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190920
• Sorrisi canonici: COC1=CC=CC=C1C=CC=O
• IUPAC Name: (E)-3-(2-methoxyphenyl)prop-2-enal
• InChIKey: KKVZAVRSVHUSPL-GQCTYLIASA-N
• INCHI: 1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+
• Isomeri SMILES: COC1=CC=CC=C1/C=C/C=O
• Peso molecolare: 162.19
• Reaxy-Rn: 2436856
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2436856&ln=

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: 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 160-161 °C/12 mmHg (lit.)
• Punto di fusione (°C): 44.0-49.0 °C (lit.)
• Peso molecolare: 162.180 g/mol
• XLogP3: 1.700
• 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: 163.000
• 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. Zhenhao Li, Shun Xiao, Ni Ai, Kedi Luo, Xiaohui Fan, Yiyu Cheng.  (2014)  Derivative multiple reaction monitoring and single herb calibration approach for multiple components quantification of traditional Chinese medicine analogous formulae.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:25541090] [10.1016/j.chroma.2014.12.024]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1504-74-1, the molecular formula is C10H10O2, and the molecular weight is 162.19 g/mol. InChIKey KKVZAVRSVHUSPL-GQCTYLIASA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.