2,5-Bis(1,1,3,3-tetramethylbutyl)hydroquinone - ≥95%(GC) , CAS No.903-19-5

CAS: 903-19-5 Cat. No.: B152805 Peso molecular: 334.54 Número EC: 212-990-3

GRADE & PURITY ≥95%(GC)

Synonyms

1,4-Benzenediol, bis(1,1,3,3-tetramethylbutyl)- | EINECS 263-867-6 | DTXSID7052733 | AMY11222 | 2,5-Bis(1,1,3,3-tetramethylbutyl)hydroquinone | B1839 | 2,5-di-tert-octyl hydroquinone | InChI=1/C22H38O2/c1-19(2,3)13-21(7,8)15-11-18(24)16(12-17(15)23)22(9,1

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 4-Benzenediol, bis(1, 1, 3, 3-tetramethylbutyl)- | EINECS 263-867-6 | DTXSID7052733 | AMY11222 | 2, 5-Bis(1, 1, 3, 3-tetramethylbutyl)hydroquinone | B1839 | 2, 5-di-tert-octyl hydroquinone | InChI=1/C22H38O2/c1-19(2, 3)13-21(7, 8)15-11-18(24)16(12-17(15)23)22(9, 1

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 504754496
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754496
• Sonrisas canónicas: CC(C)(C)CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CC(C)(C)C)O
• IUPAC Name: 2,5-bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol
• InChIKey: CLDZVCMRASJQFO-UHFFFAOYSA-N
• INCHI: 1S/C22H38O2/c1-19(2,3)13-21(7,8)15-11-18(24)16(12-17(15)23)22(9,10)14-20(4,5)6/h11-12,23-24H,13-14H2,1-10H3
• Isómeros SMILES: CC(C)(C)CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CC(C)(C)C)O
• Peso molecular: 334.54
• Reaxy-Rn: 1995850
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1995850&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Quinone and hydroquinone lipids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Quinone and hydroquinone lipids
• Intermediate Tree Nodes: Not available
• Direct Parent: Prenylated hydroquinones
• Alternative Parents: Phenylpropanes Hydroquinones 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Prenylbenzoquinol - Phenylpropane - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as prenylated hydroquinones. These are quinones with a structure characterized by the hydroquinone ring substituted by an prenyl side-chain.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive,Air Sensitive,Heat Sensitive
• Punto de fusión (°C): 130 °C
• Peso molecular: 334.500 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 334.287 Da
• Monoisotopic Mass: 334.287 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 369.000
• 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