Methyl 2-hydroxy-6-methylbenzoate - ≥95% , CAS No.33528-09-5

CAS: 33528-09-5 Cat. No.: M303466 Fórmula: C₉H₁₀O₃ Peso molecular: 166.17 Número EC: 842-635-3

CALIDAD & PUREZA ≥95%

Synonyms

Benzoic acid, 2-hydroxy-6-methyl-, methyl ester | C74722 | DS-15238 | UNII-7I0LI71IJ1 | Methyl 2-hydroxy-6-methylbenzoate # | MFCD06797968 | A903182 | AKOS006286987 | 2,6-Cresotic acid, methyl ester | METHYL SALICYLATE IMPURITY L [EP IMPURITY] | SCHEMBL95

Storage

Room temperature,Desiccated

Shipped In

Normal

Especificaciones

Sinónimos

Benzoic acid, 2-hydroxy-6-methyl-, methyl ester | C74722 | DS-15238 | UNII-7I0LI71IJ1 | Methyl 2-hydroxy-6-methylbenzoate # | MFCD06797968 | A903182 | AKOS006286987 | 2,6-Cresotic acid, methyl ester | METHYL SALICYLATE IMPURITY L [EP IMPURITY] | SCHEMBL95

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

488190451

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190451

Sonrisas canónicas

CC1=C(C(=CC=C1)O)C(=O)OC

IUPAC Name

methyl 2-hydroxy-6-methylbenzoate

InChIKey

GPNCYIZKJTXKRO-UHFFFAOYSA-N

INCHI

1S/C9H10O3/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3-5,10H,1-2H3

Isómeros SMILES

CC1=C(C(=CC=C1)O)C(=O)OC

Peso molecular

166.17

Reaxy-Rn

2208585

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208585&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzoic acid esters
          • Level6 o-Hydroxybenzoic acid esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzoic acid esters
• Direct Parent: o-Hydroxybenzoic acid esters
• Alternative Parents: Salicylic acid and derivatives Meta cresols Benzoyl derivatives Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoyl - M-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Methyl ester - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
• 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 230.2±20.0°C at 760 mmHg
• Peso molecular: 166.170 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.063 Da
• Monoisotopic Mass: 166.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 33528-09-5, the molecular formula is C9H10O3, and the molecular weight is 166.17 g/mol. InChIKey GPNCYIZKJTXKRO-UHFFFAOYSA-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.