Benzoin Isobutyl Ether - ≥94%(GC) , CAS No.22499-12-3

CAS: 22499-12-3 Cat. No.: B152114 Peso molecular: 268.36 Número EC: 245-039-6

GRADE & PURITY ≥94%(GC)

Synonyms

2-(2-methylpropoxy)-1,2-di(phenyl)ethanone | DTXSID6051485 | Q27237309 | 2-Isobutoxy-2-phenylacetophenone | MFCD00008933 | 2-(2-methylpropoxy)-1,2-diphenylethanone | 2-Isobutoxy-1,2-diphenylethanone # | SCHEMBL50307 | 0WOK8H9226 | Vicure 10 | JMVZGKVGQDHW

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-(2-methylpropoxy)-1, 2-di(phenyl)ethanone | DTXSID6051485 | Q27237309 | 2-Isobutoxy-2-phenylacetophenone | MFCD00008933 | 2-(2-methylpropoxy)-1, 2-diphenylethanone | 2-Isobutoxy-1, 2-diphenylethanone # | SCHEMBL50307 | 0WOK8H9226 | Vicure 10 | JMVZGKVGQDHW

Especificaciones y pureza

≥94%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥94%(GC)

Nombres e identificadores

• Pubchem Sid: 488186642
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186642
• Sonrisas canónicas: CC(C)COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
• IUPAC Name: 2-(2-methylpropoxy)-1,2-diphenylethanone
• InChIKey: JMVZGKVGQDHWOI-UHFFFAOYSA-N
• INCHI: 1S/C18H20O2/c1-14(2)13-20-18(16-11-7-4-8-12-16)17(19)15-9-5-3-6-10-15/h3-12,14,18H,13H2,1-2H3
• Isómeros SMILES: CC(C)COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
• RTECS: KM5782265
• Peso molecular: 268.36
• Reaxy-Rn: 1984819
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1984819&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes
      • Subclass Benzoins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Benzoins
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoins
• Alternative Parents: Alkyl-phenylketones Benzylethers Benzoyl derivatives Aryl alkyl ketones Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoin - Alkyl-phenylketone - Phenylketone - Benzylether - Benzoyl - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Ketone - Ether - Dialkyl ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoins. These are organic compounds containing a 1,2-hydroxy ketone attached to two phenyl groups.
• 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

• Sensibilidad: Air Sensitive
• Índice de refracción: 1.55
• Punto de inflamación (°F): 85°C(lit.)
• Punto de inflamación (°C): 85°C(lit.)
• Punto de ebullición (°C): 133 °C/0.5 mmHg
• Punto de fusión (°C): 23 °C
• Peso molecular: 268.300 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 268.146 Da
• Monoisotopic Mass: 268.146 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 286.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1