Methyl 2-hydroxy-3-methylbenzoate - ≥98% , CAS No.23287-26-5

CAS: 23287-26-5 Cat. No.: M168843 Summenformel: C₉H₁₀O₃ Molekulargewicht: 166.178 EG-Nummer: 245-557-2

GRADE & PURITY ≥98%

Synonyms

MFCD00020051 | SY061790 | o-cresotic acid methyl ester | Methyl 2-hydroxy-3-methylbenzoate | Methyl 2-Hydroxy-3-Methyl-Benzoate | 3-methylsalicylic acid methyl ester | Methyl ester of 2-hydroxy-3-methylbenzoic acid | SCHEMBL334485 | FT-0616182 | 2-hydroxy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

MFCD00020051 | SY061790 | o-cresotic acid methyl ester | Methyl 2-hydroxy-3-methylbenzoate | Methyl 2-Hydroxy-3-Methyl-Benzoate | 3-methylsalicylic acid methyl ester | Methyl ester of 2-hydroxy-3-methylbenzoic acid | SCHEMBL334485 | FT-0616182 | 2-hydroxy

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504753481
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753481
• Kanonisches Lächeln: CC1=C(C(=CC=C1)C(=O)OC)O
• IUPAC Name: methyl 2-hydroxy-3-methylbenzoate
• InChIKey: SUHLUMKZPUMAFP-UHFFFAOYSA-N
• INCHI: 1S/C9H10O3/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5,10H,1-2H3
• Isomere SMILES: CC1=C(C(=CC=C1)C(=O)OC)O
• Molekulargewicht: 166.178
• Reaxy-Rn: 2413202
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2413202&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Benzoic acid esters
          • Ebene6 o-Hydroxybenzoic acid esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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 Ortho cresols Benzoyl derivatives Toluenes 1-hydroxy-4-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 - O-cresol - 1-hydroxy-4-unsubstituted benzenoid - Toluene - Phenol - Vinylogous acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in ethanol, fixed Oils, Propylene Glycol. Insoluble in water.
• Molekulargewicht: 166.170 g/mol
• XLogP3: 3.200
• 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

Häufig gestellte Fragen

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 room temperature.

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 23287-26-5, the molecular formula is C9H10O3, and the molecular weight is 166.178 g/mol. InChIKey SUHLUMKZPUMAFP-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.