4-tert-Butyl-5-methoxy-catechol - ≥98% , CAS No.91352-66-8

CAS: 91352-66-8 Cat. No.: T274854 Peso molecular: 196.25 Número EC: 635-618-5 PubChem CID: 354847

GRADE & PURITY ≥98%

Synonyms

4-tert-butyl-5-methoxybenzene-1,2-diol | AKOS006271867 | 4-tert-butyl-5-methoxy catechol | SCHEMBL158789 | 4-tert-Butyl-5-methoxycatechol | 4-TERT-BUTYL-5-METHOXY-CATECHOL | 4-t-Butyl-5-methoxycatechol | 4-methoxy-5-t-butylcatechol | NSC607537 | NSC-60753

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

4-tert-butyl-5-methoxybenzene-1, 2-diol | AKOS006271867 | 4-tert-butyl-5-methoxy catechol | SCHEMBL158789 | 4-tert-Butyl-5-methoxycatechol | 4-TERT-BUTYL-5-METHOXY-CATECHOL | 4-t-Butyl-5-methoxycatechol | 4-methoxy-5-t-butylcatechol | NSC607537 | NSC-60753

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)C1=CC(=C(C=C1OC)O)O
• IUPAC Name: 4-tert-butyl-5-methoxybenzene-1,2-diol
• InChIKey: QKPHPJQVAIJIOL-UHFFFAOYSA-N
• INCHI: 1S/C11H16O3/c1-11(2,3)7-5-8(12)9(13)6-10(7)14-4/h5-6,12-13H,1-4H3
• Isómeros SMILES: CC(C)(C)C1=CC(=C(C=C1OC)O)O
• PubChem CID: 354847
• Peso molecular: 196.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenylpropanes 4-alkoxyphenols Phenoxy compounds Methoxybenzenes Catechols Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenylpropane - 4-alkoxyphenol - Anisole - Catechol - Phenoxy compound - Phenol ether - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol 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

• Peso molecular: 196.240 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 196.11 Da
• Monoisotopic Mass: 196.11 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 185.000
• 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