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

CAS: 7782-24-3 Cat. No.: B102422 분자식: CH ₃CH(C₆H₅)CO₂H 분자량: 150.17 Beilstein Registry Number: 2044507 EC 번호: 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

동의어

(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

사양 및 순도

≥98%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 504760903
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760903
• 정식 스마일: 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
• 이성체 SMILES: C[C@@H](C1=CC=CC=C1)C(=O)O
• WGK 독일: 3
• 분자량: 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
    • 분류 Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in Chloroform
• 감도: air sensitive
• 굴절률: 1.522
• 특정 회전[α]: 80 ° (C=3, EtOH)
• 발화점(°F): >235.4 °F
• 발화점(°C): 148°C
• 끓는점(°C): 115°C
• 녹는점(°C): 29-30°C
• 분자량: 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

참고 문헌

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]

자주 묻는 질문

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.