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

CAS: 7782-24-3 Cat. No.: B102422 Molecular Weight: 150.17 Beilstein Registry Number: 2044507 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760903
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760903
• Canonical Smiles: 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
• Isomeric SMILES: C[C@@H](C1=CC=CC=C1)C(=O)O
• WGK Germany: 3
• Molecular Weight: 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
    • Class Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Chloroform
• Sensitivity: air sensitive
• Refractive Index: 1.522
• Specific Rotation[α]: 80 ° (C=3, EtOH)
• Flash Point(°F): >235.4 °F
• Flash Point(°C): 148°C
• Boil Point(°C): 115°C
• Melt Point(°C): 29-30°C
• Molecular Weight: 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

References

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]