5-Phenylvaleric Acid - ≥98%(GC) , CAS No.2270-20-4

CAS: 2270-20-4 Cat. No.: P160206 Summenformel: C₁₁H₁₄O₂ Molekulargewicht: 178.23 Beilstein Registry Number: 2049060 EG-Nummer: 218-872-8 PubChem CID: 16757

GRADE & PURITY ≥98%(GC)

Synonyms

5-Phenylvalerate | AS-57674 | BRN 2049062 | UNII-XYJ5U8LCQ8 | PD006523 | 4-09-00-01864 (Beilstein Handbook Reference) | Benzenepentanoate | CHEBI:40131 | P1284 | XYJ5U8LCQ8 | 5PV | delta-Phenylvaleric acid | DTXSID80177229 | EN300-56329 | NSC 65637 | Phen

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

5-Phenylvalerate | AS-57674 | BRN 2049062 | UNII-XYJ5U8LCQ8 | PD006523 | 4-09-00-01864 (Beilstein Handbook Reference) | Benzenepentanoate | CHEBI:40131 | P1284 | XYJ5U8LCQ8 | 5PV | delta-Phenylvaleric acid | DTXSID80177229 | EN300-56329 | NSC 65637 | Phen

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 504752778
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752778
• Kanonisches Lächeln: C1=CC=C(C=C1)CCCCC(=O)O
• IUPAC Name: 5-phenylpentanoic acid
• InChIKey: BYHDDXPKOZIZRV-UHFFFAOYSA-N
• INCHI: 1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
• Isomere SMILES: C1=CC=C(C=C1)CCCCC(=O)O
• WGK Deutschland: 3
• RTECS: YV7816000
• PubChem CID: 16757
• Molekulargewicht: 178.23
• Beilstein: 2049060
• Reaxy-Rn: 2049062

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Benzene and substituted derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Medium-chain fatty acid - Benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: monocarboxylic acid - benzenes

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in methanol, insoluble in water
• Siedepunkt (°C): 164 °C/5 mmHg
• Schmelzpunkt (°C): 58-61℃
• Molekulargewicht: 178.230 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 178.099 Da
• Monoisotopic Mass: 178.099 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 148.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 2270-20-4, the molecular formula is C11H14O2, and the molecular weight is 178.23 g/mol. InChIKey BYHDDXPKOZIZRV-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.