2-Ethoxybenzoic acid - ≥98% , CAS No.134-11-2

CAS: 134-11-2 Cat. No.: E109278 Fórmula: C₉H₁₀O₃ Peso molecular: 166.17 Beilstein Registry Number: 2691039 Número EC: 205-130-3

CALIDAD & PUREZA ≥98%

Synonyms

AKOS000103127 | W-108289 | Benzoic acid, o-ethoxy- | Benzoic acid, ethoxy- | 2-Ethoxybenzoic acid | 2-Ethoxy-benzoic Acid | AC-2854 | 5IN9FDI7TT | EINECS 205-130-3 | EN300-20425 | InChI=1/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11 | Z104

Storage

Room temperature

Shipped In

Normal

Descripción general

2-Ethoxybenzoic acid is dental cement. It is root-end filling material and prevents the entry of root-canal pathogens into periapical regions
2-Ethoxybenzoic acid was used in thermally induced solvent-free reactions of Ph3Bi with a series of thiols and carboxylic acids

Especificaciones

Sinónimos

AKOS000103127 | W-108289 | Benzoic acid, o-ethoxy- | Benzoic acid, ethoxy- | 2-Ethoxybenzoic acid | 2-Ethoxy-benzoic Acid | AC-2854 | 5IN9FDI7TT | EINECS 205-130-3 | EN300-20425 | InChI=1/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11 | Z104

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504754138

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754138

Sonrisas canónicas

CCOC1=CC=CC=C1C(=O)O

IUPAC Name

2-ethoxybenzoic acid

InChIKey

XDZMPRGFOOFSBL-UHFFFAOYSA-N

INCHI

1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)

Isómeros SMILES

CCOC1=CC=CC=C1C(=O)O

WGK Alemania

3

Peso molecular

166.17

Beilstein

2691039

Reaxy-Rn

2691039

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2691039&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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

Objetivos asociados (humanos)

NR1H2 Tchem LXR-beta (3841 Activities)

Discover Target: NR1H2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: 95% ethanol: soluble5%, clear, colorless to yellow
• Índice de refracción: 1.54
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 174-176°C
• Punto de fusión (°C): 19.3-19.5°C
• Peso molecular: 166.170 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• 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: 156.000
• 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

Preguntas frecuentes

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.