(S)-(+)-2-Phenylpropionic acid - ≥98% , CAS No.7782-24-3

CAS: 7782-24-3 Cat. No.: B102422 Peso molecular: 150.17 Beilstein Registry Number: 2044507 Número EC: 626-162-8

GRADE & PURITY ≥98%

Synonyms

(S)-hydratropic acid | MFCD00063139 | (.ALPHA.S)-.ALPHA.-METHYLBENZENEACETIC ACID | (2~{S})-2-phenylpropanoic acid | P1220 | (+)-.ALPHA.-PHENYLPROPIONIC ACID | (+)-Hydratropasaeure | AMY4109 | Q27121254 | (S)-alpha-Methylbenzeneacetic acid | (S)-2-phenylp

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(S)-hydratropic acid | MFCD00063139 | (.ALPHA.S)-.ALPHA.-METHYLBENZENEACETIC ACID | (2~{S})-2-phenylpropanoic acid | P1220 | (+)-.ALPHA.-PHENYLPROPIONIC ACID | (+)-Hydratropasaeure | AMY4109 | Q27121254 | (S)-alpha-Methylbenzeneacetic acid | (S)-2-phenylp

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760903
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760903
• Sonrisas canónicas: CC(C1=CC=CC=C1)C(=O)O
• IUPAC Name: (2S)-2-phenylpropanoic acid
• InChIKey: YPGCWEMNNLXISK-ZETCQYMHSA-N
• INCHI: 1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1
• Isómeros SMILES: C[C@@H](C1=CC=CC=C1)C(=O)O
• WGK Alemania: 3
• Peso molecular: 150.17
• Beilstein: 2044507
• Reaxy-Rn: 1863558
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1863558&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic 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: 2-phenylpropanoic-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 phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• External Descriptors: hydratropic acid

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

• Solubilidad: Soluble in Chloroform
• Sensibilidad: air sensitive
• Índice de refracción: 1.522
• Rotación específica [α]: 80 ° (C=3, EtOH)
• Punto de inflamación (°F): >235.4 °F
• Punto de inflamación (°C): 148°C
• Punto de ebullición (°C): 115°C
• Punto de fusión (°C): 29-30°C
• Peso molecular: 150.170 g/mol
• XLogP3: 1.900
• 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: 136.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Referencias

1. Yusong Zhang, Wei Shi, Huanlin Li, Lei Yang, Lei Hou, Cheng Ma.  (2025)  Terahertz absorption spectra of (S)-(+)-2-phenylpropanoic acid, (R)-(-)-2-phenylpropanoic acid and their racemic mixtures.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.144634]

2. Tao Huang, Chunsu Liang, Xiaomei Ling.  (2025)  Study on Dissociated States of Monocarboxylic Acids and Their Interactions With MCT1 by Capillary Electrophoresis With Interface-Induced Current Detector.  ELECTROPHORESIS,  46  (21): (1576-1587).  [PMID:41104594] [10.1002/elps.70028]