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 CE: 215-661-2

GRAU & 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

Especificações

Sinónimos

Ethyl methyl ketone peroxide Methyl ethyl ketone peroxide

Especificações e pureza

Reactive oxygen content 9%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice,FedEx DG Service

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

Nomes e identificadores

Pubchem Sid

508808560

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

1

Número UN

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
    • Classe Organic hydroperoxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrição: 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

Alvos associados (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

Alvos associados (não 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 ação

Propriedades químicas e físicas

• Solubilidade: Soluble in oxygen-containing organic solvents, insoluble in water
• Índice de refração: 1.455
• Ponto de inflamação (°F): 132.8 °F
• Ponto de inflamação (°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