Methyl 2,2-dimethylphenylacetate - ≥98% , CAS No.57625-74-8

CAS: 57625-74-8 Cat. No.: M194022 Peso molecular: 178.23 Número EC: 805-721-1

GRADE & PURITY ≥98%

Synonyms

MFCD01846451 | MLS002207176 | Ethyl2,2-dimethylphenylacetate | SCHEMBL728471 | 2-methyl-2-phenyl-propionic acid methyl ester | Methyl-2-methyl-2 phenyl-propanoate | Methyl 2,2-dimethyl-2-phenylacetate | EN300-247059 | AC-15244 | alpha,alpha-dimethyl-pheny

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

MFCD01846451 | MLS002207176 | Ethyl2, 2-dimethylphenylacetate | SCHEMBL728471 | 2-methyl-2-phenyl-propionic acid methyl ester | Methyl-2-methyl-2 phenyl-propanoate | Methyl 2, 2-dimethyl-2-phenylacetate | EN300-247059 | AC-15244 | alpha, alpha-dimethyl-pheny

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504757262
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757262
• Sonrisas canónicas: CC(C)(C1=CC=CC=C1)C(=O)OC
• IUPAC Name: methyl 2-methyl-2-phenylpropanoate
• InChIKey: WITYUUTUSPKOAB-UHFFFAOYSA-N
• INCHI: 1S/C11H14O2/c1-11(2,10(12)13-3)9-7-5-4-6-8-9/h4-8H,1-3H3
• Isómeros SMILES: CC(C)(C1=CC=CC=C1)C(=O)OC
• Peso molecular: 178.23
• Reaxy-Rn: 2047615
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047615&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: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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: 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: SolubilityChloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Peso molecular: 178.230 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099 Da
• Monoisotopic Mass: 178.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 179.000
• 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