sec-Butylbenzene - Standard for GC, ≥99.5%(GC) , CAS No.135-98-8

CAS: 135-98-8 Cat. No.: B100254 Summenformel: C₁₀H₁₄ Molekulargewicht: 134.22 Beilstein Registry Number: 1903902 EG-Nummer: 205-227-0

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

SEC-BUTYLBENZENE|135-98-8|2-Phenylbutane|Benzene, (1-methylpropyl)-|(1-Methylpropyl)benzene|Benzene, sec-butyl-|Secondary butylbenzene|1-sec-butylbenzene|s-Butylbenzene|butan-2-ylbenzene|(Butan-2-yl)benzene|B70I0RSX3J|DTXSID2022333|CHEBI:35097|NSC-8466|HS

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

SEC-BUTYLBENZENE | 135-98-8 | 2-Phenylbutane | Benzene, (1-methylpropyl)- | (1-Methylpropyl)benzene | Benzene, sec-butyl- | Secondary butylbenzene | 1-sec-butylbenzene | s-Butylbenzene | butan-2-ylbenzene | (Butan-2-yl)benzene | B70I0RSX3J | DTXSID2022333 | CHEBI:35097 | NSC-8466 | HS

Spezifikationen & Reinheit

Standard for GC, ≥99.5%(GC)

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Standard for GC

Reinheit

≥99.5%(GC)

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

CCC(C)C1=CC=CC=C1

WGK Deutschland

2

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.49
• Flammpunkt (°C): 45°C
• Siedepunkt (°C): 173°C
• Schmelzpunkt (°C): -75°C
• Molekulargewicht: 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥99.5% purity, determined by gas chromatography (GC). 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 does Standard for GC mean?

Standard for GC indicates that the chemical has been purified and tested specifically for use in gas chromatography. Key specifications typically include controlled UV absorbance at common detection wavelengths, low non-volatile residue, controlled moisture content, and verified lot-to-lot consistency. Standard for GC is used for mobile phases, sample preparation and analytical standards in this workflow.

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.