2-(4-Ethoxyphenyl)-2-methylpropanol - ≥98%(GC) , CAS No.83493-63-4

CAS: 83493-63-4 Cat. No.: E156556 Fórmula: C₁₂H₁₈O₂ Peso molecular: 194.27 Número EC: 680-130-8

CALIDAD & PUREZA ≥98%(GC)

Synonyms

4-ethoxyneophyl alcohol | PENA | 2-(4-ethoxyphenyl)-2-methyl-1-propanol | METHYL6-BROMOQUINOLINE-2-CARBOXYLATE | 2-(4-Ethoxyphenyl)-2-methylpropanol | AS-63625 | Q27119828 | CHEBI:39350 | E0730 | J-505972 | p-ethoxyneophyl alcohol | 2-(4-ethoxyphenyl)-2-m

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

4-ethoxyneophyl alcohol | PENA | 2-(4-ethoxyphenyl)-2-methyl-1-propanol | METHYL6-BROMOQUINOLINE-2-CARBOXYLATE | 2-(4-Ethoxyphenyl)-2-methylpropanol | AS-63625 | Q27119828 | CHEBI:39350 | E0730 | J-505972 | p-ethoxyneophyl alcohol | 2-(4-ethoxyphenyl)-2-m

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

528755874

Sonrisas canónicas

CCOC1=CC=C(C=C1)C(C)(C)CO

IUPAC Name

2-(4-ethoxyphenyl)-2-methylpropan-1-ol

InChIKey

OZEZBKUHAGFQME-UHFFFAOYSA-N

INCHI

1S/C12H18O2/c1-4-14-11-7-5-10(6-8-11)12(2,3)9-13/h5-8,13H,4,9H2,1-3H3

Isómeros SMILES

CCOC1=CC=C(C=C1)C(C)(C)CO

Peso molecular

194.27

Reaxy-Rn

5508387

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5508387&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• External Descriptors: aromatic ether - propan-1-ols

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

• Punto de fusión (°C): 48 °C
• Peso molecular: 194.270 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 194.131 Da
• Monoisotopic Mass: 194.131 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 158.000
• 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