4-Ethoxybenzoic Acid Ethyl Ester - ≥97%(GC) , CAS No.23676-09-7

CAS: 23676-09-7 Cat. No.: E136135 Formula: C₁₁H₁₄O₃ Molecular Weight: 194.23 EC Number: 245-818-0

GRADE & PURITY ≥97%(GC)

Synonyms

W-107387 | Ethyl para-ethoxybenzoate | 4-ethoxyethylbenzoate | 4-Amino-picolinsaure | 4-Ethoxy ethylbenzoate | 4-Ethoxybenzoic acid-ethyl ester | E0524 | AC-19626 | Ethyl 4-ethoxybenzoate, AldrichCPR | EINECS 245-818-0 | ethyl-4-ethoxybenzoate | Ethyl4-et

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

W-107387 | Ethyl para-ethoxybenzoate | 4-ethoxyethylbenzoate | 4-Amino-picolinsaure | 4-Ethoxy ethylbenzoate | 4-Ethoxybenzoic acid-ethyl ester | E0524 | AC-19626 | Ethyl 4-ethoxybenzoate, AldrichCPR | EINECS 245-818-0 | ethyl-4-ethoxybenzoate | Ethyl4-et

Specifications & Purity

≥97%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

Pubchem Sid

488186603

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186603

Canonical Smiles

CCOC1=CC=C(C=C1)C(=O)OCC

IUPAC Name

ethyl 4-ethoxybenzoate

InChIKey

HRAQMGWTPNOILP-UHFFFAOYSA-N

INCHI

1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC

Molecular Weight

194.23

Reaxy-Rn

2692236

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2692236&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

Chemical and Physical Properties

• Solubility: Not miscible or difficult to mix with water
• Refractive Index: 1.52
• Boil Point(°C): 275°C
• Molecular Weight: 194.230 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094 Da
• Monoisotopic Mass: 194.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 171.000
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). 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 23676-09-7, the molecular formula is C11H14O3, and the molecular weight is 194.23 g/mol. InChIKey HRAQMGWTPNOILP-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.