Isoamil éter bencílico - ≥98%(GC) , CAS No.122-73-6

CAS: 122-73-6 Cat. No.: B152992 Peso molecular: 178.28 Beilstein Registry Number: 6(2)410 Número EC: 204-570-3

GRADE & PURITY ≥98%(GC)

Synonyms

Benzene, ((3-methylbutoxy)methyl)- | Benzyl isopentyl ether | UNII-I8034PF326 | 3-CYCLOPENT-1-ENYL-ACRYLICACID | Isoamyl benzyl ether | iso-Amyl benzyl ether | MFCD00048371 | [(Isopentyloxy)methyl]benzene # | AI3-00750 | BRN 2251737 | D91076 | Isoamylbenz

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Benzene, ((3-methylbutoxy)methyl)- | Benzyl isopentyl ether | UNII-I8034PF326 | 3-CYCLOPENT-1-ENYL-ACRYLICACID | Isoamyl benzyl ether | iso-Amyl benzyl ether | MFCD00048371 | [(Isopentyloxy)methyl]benzene # | AI3-00750 | BRN 2251737 | D91076 | Isoamylbenz

Especificaciones y pureza

≥98%(GC)

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%(GC)

Nombres e identificadores

• Sonrisas canónicas: CC(C)CCOCC1=CC=CC=C1
• IUPAC Name: 3-methylbutoxymethylbenzene
• InChIKey: RXXCIBALSKQCAE-UHFFFAOYSA-N
• INCHI: 1S/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
• Isómeros SMILES: CC(C)CCOCC1=CC=CC=C1
• RTECS: KM9620000
• Peso molecular: 178.28
• Beilstein: 6(2)410
• Reaxy-Rn: 2251737
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2251737&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

• Índice de refracción: 1.48
• Punto de inflamación (°F): 230℉
• Punto de inflamación (°C): 110°C(lit.)
• Punto de ebullición (°C): 236°C(lit.)
• Peso molecular: 178.270 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 178.136 Da
• Monoisotopic Mass: 178.136 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 114.000
• 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