Ethyl 5-methylsalicylate - ≥98% , CAS No.34265-58-2

CAS: 34265-58-2 Cat. No.: E169721 Summenformel: C₁₀H₁₂O₃ Molekulargewicht: 180.2 EG-Nummer: 251-903-3

QUALITÄT & REINHEIT ≥98%

Synonyms

Benzoic acid, 2-hydroxy-5-methyl-, ethyl ester | EINECS 251-903-3 | J-019538 | FT-0688559 | Ethyl 5-methylsalicylate, 98% | DTXSID7067827 | InChI=1/C10H12O3/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6,11H,3H2,1-2H | Ethyl 2-hydroxy-5-methylbenzoate | ETHYL 2-HY

Storage

Room temperature

Shipped In

Normal

Übersicht

Ethyl 5-methylsalicylate (ethyl 2-hydroxy-5-methylbenzoate) is a hydroxyl benzoate derivative. One of the methods reported for its synthesis is the esterification of p-cresotinic acid with absolute alcohol. It is formed as an intermediate during the synthesis of 2-propoxy-5-methylbenzoic acid. Ethyl 2-hydroxy-5-methylbenzoate has been isolated as a minor by product in the AlCl3 promoted reaction of 2-methyl furan with ethyl propiolate.

Spezifikationen

Synonyme

Benzoic acid, 2-hydroxy-5-methyl-, ethyl ester | EINECS 251-903-3 | J-019538 | FT-0688559 | Ethyl 5-methylsalicylate, 98% | DTXSID7067827 | InChI=1/C10H12O3/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6,11H,3H2,1-2H | Ethyl 2-hydroxy-5-methylbenzoate | ETHYL 2-HY

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488187586

Kanonisches Lächeln

CCOC(=O)C1=C(C=CC(=C1)C)O

IUPAC Name

ethyl 2-hydroxy-5-methylbenzoate

InChIKey

ZGYXABNSOOACGL-UHFFFAOYSA-N

INCHI

1S/C10H12O3/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6,11H,3H2,1-2H3

Isomere SMILES

CCOC(=O)C1=C(C=CC(=C1)C)O

WGK Deutschland

3

UN-Nummer

3272

Verpackungsgruppe

III

Molekulargewicht

180.2

Reaxy-Rn

2088402

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2088402&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 Para cresols Benzoyl derivatives Toluenes 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: O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoyl - P-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Vinylogous acid - 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 98.6 °F
• Flammpunkt (°C): 37 °C
• Siedepunkt (°C): 251°C
• Molekulargewicht: 180.200 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 179.000
• 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 34265-58-2, the molecular formula is C10H12O3, and the molecular weight is 180.2 g/mol. InChIKey ZGYXABNSOOACGL-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.