2,6-Di-tert-butyl-1,4-benzenediol (2,6-DTBHQ) - ≥97% , CAS No.2444-28-2

CAS: 2444-28-2 Cat. No.: B608040 Fórmula: C₁₄H₂₂O₂ Peso molecular: 222.32 Número CE: 219-481-5

GRADE & PURITY ≥97%

Synonyms

2,6-di(t-butyl)hydroquinone | CHEBI:174144 | SY264943 | LE-Mat | 2,6-DI-TERT-BUTYLBENZOHYDROQUINONE | Oprea1_865590 | XA8M8AIM6T | 2,6-Ditert-butyl-1,4-benzenediol # | 3,5-DI-TERT-BUTYL-1,4-HYDROQUINONE | 3,5-Di-tert-butylhydroquinone | p-Xylene, 2-chloro

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

2,6-di(t-butyl)hydroquinone | CHEBI:174144 | SY264943 | LE-Mat | 2,6-DI-TERT-BUTYLBENZOHYDROQUINONE | Oprea1_865590 | XA8M8AIM6T | 2,6-Ditert-butyl-1,4-benzenediol # | 3,5-DI-TERT-BUTYL-1,4-HYDROQUINONE | 3,5-Di-tert-butylhydroquinone | p-Xylene, 2-chloro

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: Oc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
• IUPAC Name: 2,6-di-tert-butylbenzene-1,4-diol
• InChIKey: JFGVTUJBHHZRAB-UHFFFAOYSA-N
• INCHI: 1S/C14H22O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,15-16H,1-6H3
• SMILES isoméricas: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)O
• Peso molecular: 222.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Hydroquinones 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

Alvos associados (não humanos)

L1210 (27553 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 95-105℃
• Peso molecular: 222.320 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 222.162 Da
• Monoisotopic Mass: 222.162 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 210.000
• 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