4-Ethylbenzoic Acid - ≥98% , CAS No.619-64-7

CAS: 619-64-7 Cat. No.: E156333 Summenformel: C₉H₁₀O₂ Molekulargewicht: 150.18 EG-Nummer: 210-605-3

QUALITÄT & REINHEIT ≥98%

Synonyms

ZQVKTHRQIXSMGY-UHFFFAOYSA- | 4-Ethyl Benzoic acid | AE-641/00011036 | MLS000849800 | 4-Ethylbenzoic acid, 99% | NCGC00246660-01 | STL168364 | SB66834 | NSC59888 | NSC-59888 | p-Ethylbenzoic acid | W-105068 | E0379 | DTXSID3073212 | Z104478474 | SMR0004558

Storage

Room temperature

Shipped In

Normal

Übersicht

4-Ethylbenzoic acid reacts with lanthanum nitrate in aqueous solution to yield the polymer catena-polyaqua(4-ethylbenzoic acid-κO)lanthanum(III)-tri-μ-4-ethylbenzoato.
4-Ethylbenzoic acid was used in the synthesis of ethyl 4-vinyl-α-cyano-β-phenylcinnamate. It was also used to functionalize the edge of "pristine" graphite in the presence of polyphosphoric acid/phosphorus pentoxide.

Spezifikationen

Synonyme

ZQVKTHRQIXSMGY-UHFFFAOYSA- | 4-Ethyl Benzoic acid | AE-641/00011036 | MLS000849800 | 4-Ethylbenzoic acid, 99% | NCGC00246660-01 | STL168364 | SB66834 | NSC59888 | NSC-59888 | p-Ethylbenzoic acid | W-105068 | E0379 | DTXSID3073212 | Z104478474 | SMR0004558

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488181539

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181539

Kanonisches Lächeln

CCC1=CC=C(C=C1)C(=O)O

IUPAC Name

4-ethylbenzoic acid

InChIKey

ZQVKTHRQIXSMGY-UHFFFAOYSA-N

INCHI

1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)

Isomere SMILES

CCC1=CC=C(C=C1)C(=O)O

WGK Deutschland

3

Molekulargewicht

150.18

Reaxy-Rn

2041840

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041840&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• 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

Zugehörige Ziele (menschlich)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in Methanol almost transparency
• Schmelzpunkt (°C): 113℃
• Molekulargewicht: 150.170 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

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.

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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 619-64-7, the molecular formula is C9H10O2, and the molecular weight is 150.18 g/mol. InChIKey ZQVKTHRQIXSMGY-UHFFFAOYSA-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.