Cinnamic acid,sodium salt - ≥98% , CAS No.538-42-1

CAS: 538-42-1 Cat. No.: C170870 Summenformel: C₉H₇NaO₂ Molekulargewicht: 170.145

QUALITÄT & REINHEIT ≥98%

Synonyms

CINNAMATE SODIUM|2-Propenoic acid, 3-phenyl-, sodium salt|sodium (E)-3-phenylprop-2-enoate|Sodium cinnamate|CINNAMIC ACID, SODIUM SALT|2-Propenoic acid, 3-phenyl-, sodium salt (1:1)|Fortificar|Cinnamylic acid sodium salt|Sodium 3-phenyl-2-propenoate|SODIUM CINNAMATE [INCI]|sodium;(E)-3-phenylprop-2-enoate

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

CINNAMATE SODIUM | 2-Propenoic acid, 3-phenyl-, sodium salt | sodium (E)-3-phenylprop-2-enoate | Sodium cinnamate | CINNAMIC ACID, SODIUM SALT | 2-Propenoic acid, 3-phenyl-, sodium salt (1:1) | Fortificar | Cinnamylic acid sodium salt | Sodium 3-phenyl-2-propenoate | SODIUM CINNAMATE [INCI] | sodium;(E)-3-phenylprop-2-enoate

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488195558

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195558

Kanonisches Lächeln

C1=CC=C(C=C1)C=CC(=O)[O-].[Na+]

IUPAC Name

sodium;(E)-3-phenylprop-2-enoate

InChIKey

DXIHILNWDOYYCH-UHDJGPCESA-M

INCHI

1S/C9H8O2.Na/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,10,11);/q;+1/p-1/b7-6+;

Isomere SMILES

C1=CC=C(C=C1)/C=C/C(=O)[O-].[Na+]

Molekulargewicht

170.145

Reaxy-Rn

4162764

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4162764&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Cinnamic acids and derivatives
      • Subclass Cinnamic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Cinnamic acids and derivatives
• Subclass: Cinnamic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids
• Alternative Parents: Styrenes Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - Styrene - Monocyclic benzene moiety - Benzenoid - Carboxylic acid salt - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 170.140 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.034 Da
• Monoisotopic Mass: 170.034 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• 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: 2

XLogP3

Häufig gestellte Fragen

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?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 538-42-1, the molecular formula is C9H7NaO2, and the molecular weight is 170.145 g/mol. InChIKey DXIHILNWDOYYCH-UHDJGPCESA-M.

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.