Isopropylbenzene - ≥99% , CAS No.98-82-8

CAS: 98-82-8 Cat. No.: I101050 Summenformel: C₉H₁₂ Molekulargewicht: 120.19 Beilstein Registry Number: 1236613 EG-Nummer: 202-704-5

GRADE & PURITY ≥99%

Synonyms

NSC 8776 | EINECS 202-704-5 | Isopropilbenzene | CUMENE [IARC] | CUMENE [MI] | Benzene, isopropyl | Benzene, isopropyl- | Propane, 2-phenyl | Propane, 2-phenyl- | Cumene, 98% | NSC 8776 | NSC8776 | NSC-8776 | Cumene, analytical standard | 4-isopropyl benz

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Übersicht

Application

Cumene is used in the production of phenol and acetone. It is used as a thinner for paints, lacquers, and enamels and as a component of high octane fuels. It is used in the manufacture of phenol, acetone, acetophenone, and methylstyrene.

Specifications

Synonyme

NSC 8776 | EINECS 202-704-5 | Isopropilbenzene | CUMENE [IARC] | CUMENE [MI] | Benzene, isopropyl | Benzene, isopropyl- | Propane, 2-phenyl | Propane, 2-phenyl- | Cumene, 98% | NSC 8776 | NSC8776 | NSC-8776 | Cumene, analytical standard | 4-isopropyl benz

Spezifikationen & Reinheit

≥99%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice,FedEx DG Service

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 508813430
• Kanonisches Lächeln: CC(C)C1=CC=CC=C1
• IUPAC Name: cumene
• InChIKey: RWGFKTVRMDUZSP-UHFFFAOYSA-N
• INCHI: 1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
• Isomere SMILES: CC(C)C1=CC=CC=C1
• WGK Deutschland: 1
• RTECS: GR8575000
• UN-Nummer: 1918
• Verpackungsgruppe: III
• Molekulargewicht: 120.19
• Beilstein: 1236613
• Reaxy-Rn: 1236613
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236613&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Cumenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Cumene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
• External Descriptors: an aromatic compound

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

Zugehörige Ziele (menschlich)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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Zugehörige Ziele (nicht menschlich)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in alcohol, ether, acetone, benzene, carbon tetrachloride. Insoluble in water
• Brechungsindex: 1.4914
• Flammpunkt (°F): 87.8 °F
• Flammpunkt (°C): 31.0 °C
• Siedepunkt (°C): 152-154°C
• Schmelzpunkt (°C): -96.0°C
• Molekulargewicht: 120.190 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 120.094 Da
• Monoisotopic Mass: 120.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 68.100
• 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