ácido 6-fenilhexanoico - ≥98%(GC) , CAS No.5581-75-9

CAS: 5581-75-9 Cat. No.: P160209 Peso molecular: 192.26 Número EC: 622-564-2 PubChem CID: 79695

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS009158917 | EN300-109238 | 43U2R7T4EC | phenyl hexanoic acid | SCHEMBL503837 | STR08043 | SY048331 | UNII-43U2R7T4EC | 6-Phenylcaproic acid | BCP24350 | HEXANOIC ACID, 6-PHENYL- | NSC 66179 | P1108 | DTXSID90204398 | 6-Phenylhexanoic acid, 98% | FT-06

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

el ácido 6-fenilhexanoico es un ácido arilalcanoico.
el ácido 6-fenilhexanoico se empleó como compuesto modelo para investigar los efectos de la orientación de los cromóforos y la conformación molecular en la dispersión Raman mejorada en superficie basada en nanoestructuras metálicas, y como sustrato para estudiar la estequiometría del metabolismo de la cadena lateral o la mineralización completa de ácidos nafténicos sustitutos en condiciones metanogénicas.

Specifications

Sinónimos

AKOS009158917 | EN300-109238 | 43U2R7T4EC | phenyl hexanoic acid | SCHEMBL503837 | STR08043 | SY048331 | UNII-43U2R7T4EC | 6-Phenylcaproic acid | BCP24350 | HEXANOIC ACID, 6-PHENYL- | NSC 66179 | P1108 | DTXSID90204398 | 6-Phenylhexanoic acid, 98% | FT-06

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504755405
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755405
• Sonrisas canónicas: C1=CC=C(C=C1)CCCCCC(=O)O
• IUPAC Name: 6-phenylhexanoic acid
• InChIKey: JTXZPQIXIXYMDY-UHFFFAOYSA-N
• INCHI: 1S/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14)
• Isómeros SMILES: C1=CC=C(C=C1)CCCCCC(=O)O
• WGK Alemania: 3
• PubChem CID: 79695
• Peso molecular: 192.26
• Reaxy-Rn: 1950106

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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: 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

Propiedades químicas y físicas

• Sensibilidad: Heat sensitive;Air sensitive
• Índice de refracción: n20/D 1.51
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): >110 °C
• Punto de ebullición (°C): 201-202 °C/24 mmHg
• Punto de fusión (°C): 17-19℃
• Peso molecular: 192.250 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 192.115 Da
• Monoisotopic Mass: 192.115 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 160.000
• 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