Ethyl-5-ethoxy-2-hydroxybenzoate - ≥98% , CAS No.14160-70-4

CAS: 14160-70-4 Cat. No.: E341734 Summenformel: C₁₁H₁₄O₄ Molekulargewicht: 210.23

GRADE & PURITY ≥98%

Synonyms

Ethyl-5-ethoxy-2-hydroxybenzoate | Ethyl5-ethoxy-2-hydroxybenzoate | DTXSID40403096 | Ethyl-5-ethoxy-2-hydroxybenzoate, 97% | J-007522 | SCHEMBL10469566 | ethyl 5-ethoxy-2-hydroxybenzoate | 5-Ethoxy-salicylic acid ethyl ester | FT-0637019 | BSRPONIXRNBZGU

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Ethyl-5-ethoxy-2-hydroxybenzoate | Ethyl5-ethoxy-2-hydroxybenzoate | DTXSID40403096 | Ethyl-5-ethoxy-2-hydroxybenzoate, 97% | J-007522 | SCHEMBL10469566 | ethyl 5-ethoxy-2-hydroxybenzoate | 5-Ethoxy-salicylic acid ethyl ester | FT-0637019 | BSRPONIXRNBZGU

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504763015
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763015
• Kanonisches Lächeln: CCOC1=CC(=C(C=C1)O)C(=O)OCC
• IUPAC Name: ethyl 5-ethoxy-2-hydroxybenzoate
• InChIKey: BSRPONIXRNBZGU-UHFFFAOYSA-N
• INCHI: 1S/C11H14O4/c1-3-14-8-5-6-10(12)9(7-8)11(13)15-4-2/h5-7,12H,3-4H2,1-2H3
• Isomere SMILES: CCOC1=CC(=C(C=C1)O)C(=O)OCC
• WGK Deutschland: 3
• Molekulargewicht: 210.23
• Reaxy-Rn: 3091210
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3091210&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 4-alkoxyphenols Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-hydroxybenzoic acid ester - Salicylic acid or derivatives - 4-alkoxyphenol - Phenoxy compound - Benzoyl - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Vinylogous acid - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - 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

• Schmelzpunkt (°C): 63-67° C
• Molekulargewicht: 210.230 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 210.089 Da
• Monoisotopic Mass: 210.089 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 205.000
• 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 14160-70-4, the molecular formula is C11H14O4, and the molecular weight is 210.23 g/mol. InChIKey BSRPONIXRNBZGU-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.