sec-Butylbenzene - ≥99% , CAS No.135-98-8

CAS: 135-98-8 Cat. No.: B100253 Fórmula: C₁₀H₁₄ Peso molecular: 134.22 Beilstein Registry Number: 1903902 Número EC: 205-227-0

GRADE & PURITY ≥99%

Synonyms

2-phenyl butane | AKOS000120879 | Benzene, (1-methylpropyl)- | Secondary butylbenzene | EC 270-126-0 | HSDB 7212 | sec-butyl benzene | 2-Phenylbutane | DTXCID902333 | SEC-BUTYLBENZENE [MI] | BUTAN-2-YLBENZOL | CHEBI:35097 | (+/-)-SEC-BUTYLBENZENE | .alpha

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

2-phenyl butane | AKOS000120879 | Benzene, (1-methylpropyl)- | Secondary butylbenzene | EC 270-126-0 | HSDB 7212 | sec-butyl benzene | 2-Phenylbutane | DTXCID902333 | SEC-BUTYLBENZENE [MI] | BUTAN-2-YLBENZOL | CHEBI:35097 | (+/-)-SEC-BUTYLBENZENE | .alpha

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488180857

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180857

Sonrisas canónicas

CCC(C)C1=CC=CC=C1

IUPAC Name

butan-2-ylbenzene

InChIKey

ZJMWRROPUADPEA-UHFFFAOYSA-N

INCHI

1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3

Isómeros SMILES

CCC(C)C1=CC=CC=C1

WGK Alemania

2

Peso molecular

134.22

Beilstein

1903902

Reaxy-Rn

1903902

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903902&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• External Descriptors: alkylbenzene

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

• Solubilidad: Insoluble in water; Degree of Solubility in water: 17.6 mg/l 25 °C; Miscible with Ether,Alcohol,Benzene
• Índice de refracción: 1.49
• Punto de inflamación (°C): 45°C
• Punto de ebullición (°C): 173°C
• Punto de fusión (°C): -75°C
• Peso molecular: 134.220 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 134.11 Da
• Monoisotopic Mass: 134.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 80.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 135-98-8, the molecular formula is C10H14, and the molecular weight is 134.22 g/mol. InChIKey ZJMWRROPUADPEA-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.