Vinyl cinnamate - ≥95% , CAS No.3098-92-8

CAS: 3098-92-8 Cat. No.: V463642 Formula: C₁₁H₁₀O₂ Peso molecolare: 174.2 Numero EC: 680-983-6 PubChem CID: 5371819

GRADE & PURITY ≥95%

Synonyms

FS-9600 | WGXGKXTZIQFQFO-CMDGGOBGSA-N | Cinnamic Acid Vinyl Ester | Vinyl cinnamate | CINNAMICACID VINYLESTER | Vinyl (2E)-3-phenyl-2-propenoate # | AKOS025295124 | DTXSID601020990 | ethenyl (E)-3-phenylprop-2-enoate | Vinyl Cinnamate (stabilized with MEH

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

FS-9600 | WGXGKXTZIQFQFO-CMDGGOBGSA-N | Cinnamic Acid Vinyl Ester | Vinyl cinnamate | CINNAMICACID VINYLESTER | Vinyl (2E)-3-phenyl-2-propenoate # | AKOS025295124 | DTXSID601020990 | ethenyl (E)-3-phenylprop-2-enoate | Vinyl Cinnamate (stabilized with MEH

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C=COC(=O)C=CC1=CC=CC=C1

IUPAC Name

ethenyl (E)-3-phenylprop-2-enoate

InChIKey

WGXGKXTZIQFQFO-CMDGGOBGSA-N

INCHI

1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h2-9H,1H2/b9-8+

Isomeri SMILES

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

PubChem CID

5371819

Peso molecolare

174.2

Reaxy-Rn

2043181

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 Enol 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 - Enol 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.59
• Punto di infiammabilità (°F): 132°C(lit.)
• Punto di infiammabilità (°C): 132°C(lit.)
• Punto di ebollizione (°C): 125 °C/6.8 mmHg
• Punto di fusione (°C): -28 °C
• Peso molecolare: 174.200 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 174.068 Da
• Monoisotopic Mass: 174.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 200.000
• 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