Methyl cinnamate - ≥99% , CAS No.103-26-4

CAS: 103-26-4 Cat. No.: M106187 Peso molecular: 162.19 Beilstein Registry Number: 386468 Número EC: 203-093-8

GRADE & PURITY ≥99%

Synonyms

2-propenoic acid, 3-phenyl-, methyl ester, (2E)- | Methyl cinnamate (natural) | Methyl cinnamate, analytical reference material | Tox21_301384 | EINECS 203-093-8 | MFCD00008458 | trans-3-Phenylacrylic Acid Methyl Ester | Q-100258 | Tox21_304025 | LS-13765

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2-propenoic acid, 3-phenyl-, methyl ester, (2E)- | Methyl cinnamate (natural) | Methyl cinnamate, analytical reference material | Tox21_301384 | EINECS 203-093-8 | MFCD00008458 | trans-3-Phenylacrylic Acid Methyl Ester | Q-100258 | Tox21_304025 | LS-13765

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504759622
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759622
• Sonrisas canónicas: COC(=O)C=CC1=CC=CC=C1
• IUPAC Name: methyl (E)-3-phenylprop-2-enoate
• InChIKey: CCRCUPLGCSFEDV-BQYQJAHWSA-N
• INCHI: 1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
• Isómeros SMILES: COC(=O)/C=C/C1=CC=CC=C1
• WGK Alemania: 1
• RTECS: GE0190000
• Peso molecular: 162.19
• Beilstein: 386468
• Reaxy-Rn: 774921
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774921&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Cinnamic acids and derivatives
      • Subclass Cinnamic acid esters

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Cinnamic acids and derivatives
• Subclass: Cinnamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid esters
• Alternative Parents: Styrenes Fatty acid esters Methyl esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid ester - Styrene - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
• External Descriptors: methyl ester - alkyl cinnamate

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

Objetivos asociados (no humanos)

Cryz Quinone oxidoreductase (288 Activities)

Discover Target: Cryz

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Athelia rolfsii (768 Activities)

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Corticium (78 Activities)

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Pythium (470 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Punto de congelación (°C): 34 °C
• Índice de refracción: 1.565
• Punto de inflamación (°F): 253°F
• Punto de inflamación (°C): 123 °C
• Punto de ebullición (°C): 262°C
• Punto de fusión (°C): 36.5°C
• Peso molecular: 162.180 g/mol
• XLogP3: 2.600
• 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: 167.000
• 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

Referencias

1. Suxing Tuo, Can Liu, Cheng Wang, Bo Kong, Hongbin Lu, Kejun Zhong, Yuqiao Li, Wenjie Liu, Jianna Yu.  (2023)  Evaluation of Fourier deconvolution ion mobility spectrometer as high-performance gas chromatography detector for the analysis of plant extract flavors.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38070304] [10.1016/j.chroma.2023.464560]

2. Peng Deng, Yuyang Zhou.  (2023)  A sustainable strategy for promoting the colour strength and ultraviolet/oxidation resistance of polylactic acid fabric integrating quercetin and food-grade ester.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2023.117875]

3. Yixin Yang, Peige Qin, Xiaoting Zhang, Jiahua Niu, Shufang Tian, Minghua Lu, Jinhua Zhu, Zongwei Cai.  (2017)  Layer-by-layer fabrication of g-C3N4 coating for headspace solid-phase microextraction of food additives followed by gas chromatography-flame ionization detection.  Analytical Methods,  10  (3): (322-329).  [PMID:] [10.1039/C7AY02515G]

4. Rui Xiao, Xiaoting Zhang, Xiaona Zhang, Jiahua Niu, Minghua Lu, Xiuhua Liu, Zongwei Cai.  (2017)  Analysis of flavors and fragrances by HPLC with Fe3O4@GO magnetic nanocomposite as the adsorbent.  TALANTA,      [PMID:28213232] [10.1016/j.talanta.2017.01.065]

5. Yuyang Zhou, Peng Deng, Wei Chen.  (2024)  Facilely Promoting the Concentration of Baicalin in Polylactic Acid Fiber for UV Shielding and Antibacterial Functions: A Customized and Sustainable Approach.  Materials,  17  (15): (3734).  [PMID:39124397] [10.3390/ma17153734]

6. Hongwei Jiang, Lei Zhou, Yue Wang, Guangxian Liu, Shengfeng Peng, Wenzhi Yu, Yuqing Tian, Junping Liu, Wei Liu.  (2024)  Inhibition of cinnamic acid and its derivatives on polyphenol oxidase: Effect of inhibitor carboxyl group and system pH.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:38211907] [10.1016/j.ijbiomac.2024.129285]

7. Cong Zhang, Rui Cui, Liang Qi, Minhua Zong, Canyu Zhang, Yufei Cao, Wenyong Lou.  (2025)  Agar-based Pickering emulsion: A platform for enzymatic and chemoenzymatic synthesis.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.167562]

8. Jinghan Cui, Wenjie Yu, Qifang Sun, Qiuning Wang, Jinwang Li, Xiali Guo, Yanling Song, Yan Li, Liping Luo.  (2025)  Response of quality differences of winter wheat from different origins to meteorological factors based on metabolomics.  FOOD CHEMISTRY,      [PMID:41391413] [10.1016/j.foodchem.2025.147539]