5-hydroxy-2-methylbenzoic acid - ≥97% , CAS No.578-22-3

CAS: 578-22-3 Cat. No.: H135022 Summenformel: C₈H₈O₃ Molekulargewicht: 152.15 EG-Nummer: 626-195-8

GRADE & PURITY ≥97%

Synonyms

H1586 | J-009945 | Benzoic acid, 5-hydroxy-2-methyl- | Z1255379858 | NSC 36283 | AC-504 | 2-METHYL-5-HYDROXYBENZOIC ACID | AR-362/43519187 | NSC96583 | NSC-96583 | NSC36283 | NSC-36283 | AM20050405 | Z788000712 | 5-HYDROXY-O-TOLUIC ACID | DS-1061 | FS-258

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

H1586 | J-009945 | Benzoic acid, 5-hydroxy-2-methyl- | Z1255379858 | NSC 36283 | AC-504 | 2-METHYL-5-HYDROXYBENZOIC ACID | AR-362/43519187 | NSC96583 | NSC-96583 | NSC36283 | NSC-36283 | AM20050405 | Z788000712 | 5-HYDROXY-O-TOLUIC ACID | DS-1061 | FS-258

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504758018
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758018
• Kanonisches Lächeln: CC1=C(C=C(C=C1)O)C(=O)O
• IUPAC Name: 5-hydroxy-2-methylbenzoic acid
• InChIKey: ZIOYQUNKXJQXQY-UHFFFAOYSA-N
• INCHI: 1S/C8H8O3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3,(H,10,11)
• Isomere SMILES: CC1=C(C=C(C=C1)O)C(=O)O
• WGK Deutschland: 3
• Molekulargewicht: 152.15
• Reaxy-Rn: 2086231
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2086231&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxybenzoic acid derivatives
• Alternative Parents: Benzoic acids Para cresols Benzoyl derivatives Toluenes 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzoic acid - Benzoic acid - P-cresol - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Sensitive to air and temperature
• Schmelzpunkt (°C): 186 °C
• Molekulargewicht: 152.150 g/mol
• XLogP3: 1.500
• 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