2-Butanone peroxide - Reactive oxygen content 9% , CAS No.1338-23-4

CAS: 1338-23-4 Cat. No.: B707058 Fórmula: C₈H₁₈O₆ Peso molecular: 210.22 Beilstein Registry Number: 1759760 Número EC: 215-661-2

CALIDAD & PUREZA Reactive oxygen content 9%

Synonyms

Ethyl methyl ketone peroxide Methyl ethyl ketone peroxide

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Especificaciones

Sinónimos

Ethyl methyl ketone peroxide Methyl ethyl ketone peroxide

Especificaciones y pureza

Reactive oxygen content 9%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice,FedEx DG Service

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

Nombres e identificadores

Pubchem Sid

508808560

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808560

Sonrisas canónicas

CCC(C)(OO)OOC(C)(CC)OO

IUPAC Name

2-hydroperoxy-2-(2-hydroperoxybutan-2-ylperoxy)butane

InChIKey

WFUGQJXVXHBTEM-UHFFFAOYSA-N

INCHI

1S/C8H18O6/c1-5-7(3,11-9)13-14-8(4,6-2)12-10/h9-10H,5-6H2,1-4H3

Isómeros SMILES

CCC(C)(OO)OOC(C)(CC)OO

WGK Alemania

1

Número ONU

3105

Peso molecular

210.22

Beilstein

1759760

Reaxy-Rn

1759757

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759757&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organic hydroperoxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organic hydroperoxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic hydroperoxides
• Alternative Parents: Dialkyl peroxides Peroxols Alkyl hydroperoxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl peroxide - Hydroperoxide - Alkyl hydroperoxide - Peroxol - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic hydroperoxides. These are organic compounds comprising the hydroperoxide functional group, with the general formula [O-O]2-.
• 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

Objetivos asociados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in oxygen-containing organic solvents, insoluble in water
• Índice de refracción: 1.455
• Punto de inflamación (°F): 132.8 °F
• Punto de inflamación (°C): > 80°C
• Peso molecular: 210.220 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 210.11 Da
• Monoisotopic Mass: 210.11 Da
• Topological Polar Surface Area: 77.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 146.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1