Ethyl 2,4-Dihydroxy-6-methylbenzoate - ≥98% , CAS No.2524-37-0

CAS: 2524-37-0 Cat. No.: E156523 Formula: C₁₀H₁₂O₄ Peso molecolare: 196.2 Beilstein Registry Number: 10(4)1526 Numero EC: 623-214-1

GRADE & PURITY ≥98%

Synonyms

3035H4GP23 | KBio1_001288 | Q27194425 | KBio2_001265 | KBio3_001667 | TS-02774 | MFCD00010821 | .beta.-Resorcylic acid, 6-methyl-, ethyl ester | Ethyl 2,4-dihydroxy-6-methylbenzoate | NCGC00095458-02 | BRD-K97487499-001-02-2 | Triocarbazil | Spectrum5_000

Storage

Room temperature

Shipped In

Normal

Panoramica

Product description

Ethyl 2,4-dihydroxy-6-methylbenzoate is also referred as ethyl orsellinate. It was isolated from chloroform extract of Peltigera aphthosa. It is one of the product formed during alcoholyses of lecanoric acid.

Specifications

Sinonimi

3035H4GP23 | KBio1_001288 | Q27194425 | KBio2_001265 | KBio3_001667 | TS-02774 | MFCD00010821 | .beta.-Resorcylic acid, 6-methyl-, ethyl ester | Ethyl 2,4-dihydroxy-6-methylbenzoate | NCGC00095458-02 | BRD-K97487499-001-02-2 | Triocarbazil | Spectrum5_000

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488185149
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185149
• Sorrisi canonici: CCOC(=O)C1=C(C=C(C=C1C)O)O
• IUPAC Name: ethyl 2,4-dihydroxy-6-methylbenzoate
• InChIKey: UQSRXQMIXSZGLA-UHFFFAOYSA-N
• INCHI: 1S/C10H12O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h4-5,11-12H,3H2,1-2H3
• Isomeri SMILES: CCOC(=O)C1=C(C=C(C=C1C)O)O
• WGK Germania: 3
• Peso molecolare: 196.2
• Beilstein: 10(4)1526
• Reaxy-Rn: 2693137
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2693137&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzoic acid esters
          • Level6 p-Hydroxybenzoic acid esters
            • Level7 p-Hydroxybenzoic acid alkyl esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzoic acid esters - p-Hydroxybenzoic acid esters
• Direct Parent: p-Hydroxybenzoic acid alkyl esters
• Alternative Parents: o-Hydroxybenzoic acid esters Salicylic acid and derivatives Resorcinols Meta cresols Benzoyl derivatives Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-hydroxybenzoic acid alkyl ester - O-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Salicylic acid or derivatives - Benzoyl - M-cresol - Resorcinol - Toluene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 133 °C
• Peso molecolare: 196.200 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.074 Da
• Monoisotopic Mass: 196.074 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 204.000
• 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

Domande frequenti

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 2524-37-0, the molecular formula is C10H12O4, and the molecular weight is 196.2 g/mol. InChIKey UQSRXQMIXSZGLA-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.