Cinnamate de méthyle - ≥99% , CAS No.103-26-4

CAS: 103-26-4 Cat. No.: M106187 Formule: C₁₀H₁₀O₂ Poids moléculaire: 162.19 Beilstein Registry Number: 386468 Numéro CE: 203-093-8

QUALITÉ & PURETÉ ≥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

A conserver entre 2 et 8°C

Shipped In

Glace humide

Spécifications

Synonymes

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

Spécifications et pureté

≥99%

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Type d'action

ACTIVATOR

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504759622

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759622

Sourires canoniques

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+

Isomères SMILES

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

WGK Allemagne

1

RTECS

GE0190000

Poids moléculaire

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
    • 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 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
• Description: 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water.
• Point de congélation (°C): 34 °C
• Indice de réfraction: 1.565
• Point d'éclair (°F): 253°F
• Point d'éclair (°C): 123 °C
• Point d'ébullition (°C): 262°C
• Point de fusion (°C): 36.5°C
• Poids moléculaire: 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

Foire aux questions

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.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 103-26-4, the molecular formula is C10H10O2, and the molecular weight is 162.19 g/mol. InChIKey CCRCUPLGCSFEDV-BQYQJAHWSA-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.