(1-Ethylpropyl)benzene - ≥97% , CAS No.1196-58-3

CAS: 1196-58-3 Cat. No.: E156313 Fórmula: C₁₁H₁₆ Peso molecular: 148.25 Beilstein Registry Number: 5(4)1090 Número CE: 621-440-5

GRADE & PURITY ≥97%

Synonyms

CHEBI:167085 | DTXSID70152520 | (3-AMYL)BENZENE | 3-PHENYLPENTANE | 3-phenyl-pentane | E0305 | NSC 98354 | BAA19658 | pentan-3-ylbenzene | T71625 | NSC98354 | NSC-98354 | Benzene, (1-ethylpropyl)- (8CI)(9CI) | (1-Ethylpropyl)benzene | (1-ethyl-propyl)-ben

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

CHEBI:167085 | DTXSID70152520 | (3-AMYL)BENZENE | 3-PHENYLPENTANE | 3-phenyl-pentane | E0305 | NSC 98354 | BAA19658 | pentan-3-ylbenzene | T71625 | NSC98354 | NSC-98354 | Benzene, (1-ethylpropyl)- (8CI)(9CI) | (1-Ethylpropyl)benzene | (1-ethyl-propyl)-ben

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

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: CCC(CC)C1=CC=CC=C1
• IUPAC Name: pentan-3-ylbenzene
• InChIKey: PBWHJRFXUPLZDS-UHFFFAOYSA-N
• INCHI: 1S/C11H16/c1-3-10(4-2)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
• SMILES isoméricas: CCC(CC)C1=CC=CC=C1
• Peso molecular: 148.25
• Beilstein: 5(4)1090
• Reaxy-Rn: 2039504
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039504&ln=

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: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - 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

Propriedades químicas e físicas

• Índice de refração: 1.49
• Ponto de ebulição (°C): 191°C
• Peso molecular: 148.240 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 148.125 Da
• Monoisotopic Mass: 148.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 86.200
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1196-58-3, the molecular formula is C11H16, and the molecular weight is 148.25 g/mol. InChIKey PBWHJRFXUPLZDS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.