5-Methylsalicylic Acid - ≥98%(T) , CAS No.89-56-5

CAS: 89-56-5 Cat. No.: M158282 Peso molecular: 152.15 Beilstein Registry Number: 1909080 Número EC: 201-918-6

GRADE & PURITY ≥98%(T)

Synonyms

.alpha.-Cresotinic acid | AI3-25422 | 54G | 5-methyl-2-hydroxobenzoic acid | 5-metylsalicylic acid | STL374096 | DTXSID20237472 | SCHEMBL127149 | 4-Bromo-2H-pyrazole-3-carboxylicacid | 2-HYDROXY-5-METHYLBENZOIC ACID | P-CRESOTIC ACID [MI] | 4-10-00-00610

Storage

Room temperature

Shipped In

Normal

Descripción general

product description：

5-Methylsalicylic acid exhibits a significant cross-reactivity during fluorescent polarization immunoassay for salicylates in serum.

application：

5-Methylsalicylic acid was used in generation of o-sulfate conjugates in situ and their analysis by ultra-performance liquid chromatography-time-of-flight mass spectrometry.

Specifications

Sinónimos

.alpha.-Cresotinic acid | AI3-25422 | 54G | 5-methyl-2-hydroxobenzoic acid | 5-metylsalicylic acid | STL374096 | DTXSID20237472 | SCHEMBL127149 | 4-Bromo-2H-pyrazole-3-carboxylicacid | 2-HYDROXY-5-METHYLBENZOIC ACID | P-CRESOTIC ACID [MI] | 4-10-00-00610

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 488180226
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180226
• Sonrisas canónicas: CC1=CC(=C(C=C1)O)C(=O)O
• IUPAC Name: 2-hydroxy-5-methylbenzoic acid
• InChIKey: DLGBEGBHXSAQOC-UHFFFAOYSA-N
• INCHI: 1S/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
• Isómeros SMILES: CC1=CC(=C(C=C1)O)C(=O)O
• WGK Alemania: 1
• RTECS: GP3920200
• Peso molecular: 152.15
• Beilstein: 1909080
• Reaxy-Rn: 1909076
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909076&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Salicylic acid and derivatives
            • Level7 Salicylic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
• Direct Parent: Salicylic acids
• Alternative Parents: Benzoic acids Para cresols Benzoyl derivatives Toluenes 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Salicylic acid - Benzoic acid - Benzoyl - P-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.
• 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

Objetivos asociados (humanos)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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TYR Tclin Tyrosinase (717 Activities)

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CSNK2A1 Tchem Casein kinase II alpha (3512 Activities)

Discover Target: CSNK2A1

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MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

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MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

Discover Target: MMP8

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MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

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HEK293 (82097 Activities)

Explore this target

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IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

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Objetivos asociados (no humanos)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

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Mmp2 Matrix metalloproteinase-2 (12 Activities)

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Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

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lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 151 °C
• Peso molecular: 152.150 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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

Referencias

1. Yanwen Guo, Zhenzhen Cai, Fei Yan, Da Lei, Yanan Guo, Shuhai Zhang, Xincun Dou.  (2023)  Precise Electron-Withdrawing Strength Modulation of ESIPT Probes for Ultrasensitive and Specific Fluorescence Sensing.  ANALYTICAL CHEMISTRY,      [PMID:37260031] [10.1021/acs.analchem.3c01120]

2. Lu Shuo, Liu Yashuang, Dong Jinfeng, Li Xuefeng.  (2025)  Dilution-driven gel-sol-gel-sol transitions by the sequential evolution of surfactant micelles.  Nature Communications,  16  (1): (1-10).  [PMID:40057476] [10.1038/s41467-025-57686-w]