Cinnamyl Cinnamate - ≥80%(GC) , CAS No.122-69-0

CAS: 122-69-0 Cat. No.: C137770 Formula: C₆H₅CH=CHCO₂CH₂CH=CHC₆H₅ Peso molecolare: 264.32 Numero EC: 204-566-1

QUALITÀ & PUREZZA ≥80%(GC)

Synonyms

Phenylallyl cinnamate|3-Phenyl-2-propen-1-yl 3-phenylpropenoate|Cinnamyl cinnamate|2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester|CINNAMIC ACID, CINNAMYL ESTER|Cinnamyl beta-phenylacrylate|2-Propenoic acid, 3-phenyl-, (2E)-3-phenyl-2-propen-1-yl ester, (2E)-|3-Phenyl-2-propen-1-yl 3-phenyl propenoate|Cinnamyl cinnamate [FCC]|3-Phenyl allyl cinnamate|Cinnamyl alcohol, cinnamate|Cinnamylester kyseliny skoricove [Czech]|Cinnamyl cinnamate [MI]|2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propen-1-yl ester|CINNAIC ACID CINNAMYL ESTER|Cinnamyl cinnamate (natural)|(E)-Cinnamyl-(E)-Cinnamate|[(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate|Cinnamic Acid Cinnamyl Ester|(E,E)-3-Phenylallyl 3-phenylacrylate|(E)-cinnamyl (E)-cinnamate|3-Phenyl-2-propenyl 3-phenyl-2-propenoate #|[(E)-cinnamyl] (E)-3-phenylprop-2-enoate|3-phenylprop-2-en-1-yl 3-phenylprop-2-enoate|2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester; Cinnamic acid, cinnamyl este|3-Phenyl-2-propen-1-yl cinnamate|3-Phenylallyl cinnamate|Cinnamyl cinnamate (E,E)-form [MI]|3-Phenyl-2-propen-1-yl 3-phenylacrylate|Cinnamylcinnamate|Styracin|Cinnamylester kyseliny skoricove|3-Phenyl-2-propenyl 3-phenyl-2-propenoate|Cinnamyl .beta.-phenylacrylate|Cinnamyl cinnamate [FHFI]

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

Phenylallyl cinnamate | 3-Phenyl-2-propen-1-yl 3-phenylpropenoate | Cinnamyl cinnamate | 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester | CINNAMIC ACID, CINNAMYL ESTER | Cinnamyl beta-phenylacrylate | 2-Propenoic acid, 3-phenyl-, (2E)-3-phenyl-2-propen-1-yl ester, (2E)- | 3-Phenyl-2-propen-1-yl 3-phenyl propenoate | Cinnamyl cinna Mostra altro

Specifiche e purezza

≥80%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥80%(GC)

Nomi e identificatori

Pubchem Sid

488191963

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191963

Sorrisi canonici

C1=CC=C(C=C1)C=CCOC(=O)C=CC2=CC=CC=C2

IUPAC Name

[(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate

InChIKey

NQBWNECTZUOWID-MZXMXVKLSA-N

INCHI

1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2/b12-7+,14-13+

Isomeri SMILES

C1=CC=C(C=C1)/C=C/COC(=O)/C=C/C2=CC=CC=C2

WGK Germania

2

RTECS

GD8562000

Peso molecolare

264.32

Reaxy-Rn

3204235

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3204235&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: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.62
• Punto di infiammabilità (°C): 113°C
• Punto di ebollizione (°C): 370°C
• Punto di fusione (°C): 45°C
• Peso molecolare: 264.300 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 264.115 Da
• Monoisotopic Mass: 264.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 331.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Domande frequenti

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product, and how is it determined?

This product is supplied at ≥80% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 122-69-0, the molecular formula is C18H16O2, and the molecular weight is 264.32 g/mol. InChIKey NQBWNECTZUOWID-MZXMXVKLSA-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.