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

CAS: 7782-24-3 Cat. No.: B102422 Fórmula: CH ₃CH(C₆H₅)CO₂H Peso molecular: 150.17 Beilstein Registry Number: 2044507 Número CE: 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

Armazenar a -20°C, carregado com árgon

Shipped In

Arca de gelo + almofadas de gelo

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Armazenar a -20°C, carregado com árgon

Enviado em

Arca de gelo + almofadas de gelo

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504760903
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760903
• Sorrisos canónicos: 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
• SMILES isoméricas: C[C@@H](C1=CC=CC=C1)C(=O)O
• WGK Alemanha: 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
    • Classe Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Chloroform
• Sensibilidade: air sensitive
• Índice de refração: 1.522
• Rotação específica [α]: 80 ° (C=3, EtOH)
• Ponto de inflamação (°F): >235.4 °F
• Ponto de inflamação (°C): 148°C
• Ponto de ebulição (°C): 115°C
• Ponto de fusão (°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

Referências

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]

Perguntas frequentes

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 ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 7782-24-3, the molecular formula is C9H10O2, and the molecular weight is 150.17 g/mol. InChIKey YPGCWEMNNLXISK-ZETCQYMHSA-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.