Ethyl cinnamate - Moligand™, ≥99% , CAS No.103-36-6

CAS: 103-36-6 Cat. No.: E103906 Formula: C₁₁H₁₂O₂ Peso molecolare: 176.21 Beilstein Registry Number: 775541 Numero EC: 203-104-6

GRADE & PURITY Moligand™, ≥99%

Synonyms

Ethyl 3-phenylpropenoate | Ethyl cinnamate, natural, >=95%, FG | NCGC00256672-01 | UNII-C023P3M5JJ | BIDD:ER0267 | ethyl-(e)-cinnamate | DTXSID601017688 | ethyl (2E)-3-phenylacrylate | ethyl (2E)-3-phenylprop-2-enoate | Ethyl (2E)-3-phenyl-2-propenoate |

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

Ethyl 3-phenylpropenoate | Ethyl cinnamate, natural, >=95%, FG | NCGC00256672-01 | UNII-C023P3M5JJ | BIDD:ER0267 | ethyl-(e)-cinnamate | DTXSID601017688 | ethyl (2E)-3-phenylacrylate | ethyl (2E)-3-phenylprop-2-enoate | Ethyl (2E)-3-phenyl-2-propenoate |

Specifiche e purezza

Moligand™, ≥99%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 504759634
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759634
• Sorrisi canonici: CCOC(=O)C=CC1=CC=CC=C1
• IUPAC Name: ethyl (E)-3-phenylprop-2-enoate
• InChIKey: KBEBGUQPQBELIU-CMDGGOBGSA-N
• INCHI: 1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
• Isomeri SMILES: CCOC(=O)/C=C/C1=CC=CC=C1
• WGK Germania: 1
• RTECS: GD9010000
• CAS alternativo: 4192-77-2
• Peso molecolare: 176.21
• Beilstein: 775541
• Reaxy-Rn: 1238804
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1238804&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Cinnamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid esters
• Alternative Parents: Styrenes Fatty acid 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 - Benzenoid - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrizione: 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: ethyl 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Sensibilità: Light sensitive；Moisture sensitive
• Indice di rifrazione: 1.559-1.561
• Punto di infiammabilità (°F): 230℉
• Punto di infiammabilità (°C): 110℃
• Punto di ebollizione (°C): 271°C
• Punto di fusione (°C): 6-8°C
• Peso molecolare: 176.210 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 176.084 Da
• Monoisotopic Mass: 176.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 179.000
• 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. Nan He, Chunxiao Zhang, Kaiyang Hou, Hongxiao Yu, Donghai Zhang, Mengying Chen, Kaiqiang Zhang, Xu Wang.  (2023)  A comprehensive study on flavor/cyclodextrin inclusion complexes.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2023.132613]

2. Jia Jia, Jing Zhang, Xiao-Wei Chen, Shang-De Sun, Yong-Hui Wang, An-Chi Wei.  (2023)  Towards the development of novel bicomponent phytosterol-based oleogels with natural phenolics.  FOOD CHEMISTRY,      [PMID:37487391] [10.1016/j.foodchem.2023.136895]

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. Xiangyang Liu, Chao Su, Xuetao Qi, Maogang He.  (2015)  Isobaric heat capacities of ethyl heptanoate and ethyl cinnamate at pressures up to 16.3 MPa.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2015.09.031]

6. Jia Donglin, Li Jiaxin, Zhu Kefan, Qiu Hengwei, Li Liang, Zhao Xing, Lan Zhineng, Yan Huilin, Yang Fu, Cui Peng, Sun Xin, Li Haifang, Zhu Pengkun, Liu Shaofeng, Li Meicheng.  (2025)  Enriching conductive capping by alkaline treatment of perovskite quantum dots towards certified 18.3%-efficient solar cells.  Nature Communications,  16  (1): (1-14).  [PMID:41022725] [10.1038/s41467-025-63618-5]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 103-36-6, the molecular formula is C11H12O2, and the molecular weight is 176.21 g/mol. InChIKey KBEBGUQPQBELIU-CMDGGOBGSA-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.