4-Ethylanisole - ≥98% , CAS No.1515-95-3

CAS: 1515-95-3 Cat. No.: E137475 Fórmula: C₉H₁₂O Peso molecular: 136.19 Beilstein Registry Number: 6(4)3021 Número EC: 604-805-3

CALIDAD & PUREZA ≥98%

Synonyms

1-Ethyl-4-methoxybenzene | 1-ethyl-4-methoxy-benzene | p-Ethylanisole | E0436 | P-ETHYLMETHOXYBENZENE | Methyl-n-butyrate | Iodoacetic acid ethyl ester | CHEBI:88653 | DTXSID80164795 | SCHEMBL12015213 | 4-Methoxy-1-ethylbenzene | Bis-Boc-aminooxyaceticaci

Storage

Room temperature

Shipped In

Normal

Descripción general

It can be used the synthesis of 1-Methoxy-4-ethyl-1,4-cyclohexadiene. It is also applied in the ligand-assisted, copper-catalyzed enantioselective benzylic amination.

Especificaciones

Sinónimos

1-Ethyl-4-methoxybenzene | 1-ethyl-4-methoxy-benzene | p-Ethylanisole | E0436 | P-ETHYLMETHOXYBENZENE | Methyl-n-butyrate | Iodoacetic acid ethyl ester | CHEBI:88653 | DTXSID80164795 | SCHEMBL12015213 | 4-Methoxy-1-ethylbenzene | Bis-Boc-aminooxyaceticaci

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488184788

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184788

Sonrisas canónicas

CCC1=CC=C(C=C1)OC

IUPAC Name

1-ethyl-4-methoxybenzene

InChIKey

HDNRAPAFJLXKBV-UHFFFAOYSA-N

INCHI

1S/C9H12O/c1-3-8-4-6-9(10-2)7-5-8/h4-7H,3H2,1-2H3

Isómeros SMILES

CCC1=CC=C(C=C1)OC

Peso molecular

136.19

Beilstein

6(4)3021

Reaxy-Rn

774365

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774365&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in alcohol. Insoluble in water.
• Índice de refracción: 1.51
• Punto de inflamación (°F): 174°F
• Punto de inflamación (°C): 79°C
• Punto de ebullición (°C): 195 °C
• Peso molecular: 136.190 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 136.089 Da
• Monoisotopic Mass: 136.089 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 82.700
• 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