2,6-Dimethylanisole - ≥98%(GC) , CAS No.1004-66-6

CAS: 1004-66-6 Cat. No.: D155523 Peso molecular: 136.19 Beilstein Registry Number: 6485

GRADE & PURITY ≥98%(GC)

Synonyms

EN300-123427 | FT-0610697 | DTXSID40143248 | 2-Methoxy-1,3-dimethylbenzene | F20859 | SY048974 | 2-Methoxy-1,3-dimethylbenzene # | 2,6-Dimethylanisole | 2,6-dimethyl anisole | SCHEMBL145464 | NSC62672 | NSC-62672 | AI3-21152 | MFCD00008380 | NSC 62672 | W

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

2,6-Dimethylanisole is used as a pharmaceutical intermediate. Methoxymetacyclophanes is prepared from 2,6-dimethylanisole.

Specifications

Sinónimos

EN300-123427 | FT-0610697 | DTXSID40143248 | 2-Methoxy-1, 3-dimethylbenzene | F20859 | SY048974 | 2-Methoxy-1, 3-dimethylbenzene # | 2, 6-Dimethylanisole | 2, 6-dimethyl anisole | SCHEMBL145464 | NSC62672 | NSC-62672 | AI3-21152 | MFCD00008380 | NSC 62672 | W

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488183726
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183726
• Sonrisas canónicas: CC1=C(C(=CC=C1)C)OC
• IUPAC Name: 2-methoxy-1,3-dimethylbenzene
• InChIKey: GFNZJAUVJCGWLW-UHFFFAOYSA-N
• INCHI: 1S/C9H12O/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-3H3
• Isómeros SMILES: CC1=C(C(=CC=C1)C)OC
• Peso molecular: 136.19
• Beilstein: 6485
• Reaxy-Rn: 1858509
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1858509&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: m-Xylenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - M-xylene - Xylene - 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: Insoluble in water.
• Sensibilidad: air sensitive
• Índice de refracción: 1.5
• Punto de inflamación (°F): 152.6 °F
• Punto de inflamación (°C): 67°C(lit.)
• Punto de ebullición (°C): 182°C
• Peso molecular: 136.190 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• 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: 90.900
• 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