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

CAS: 135-98-8 Cat. No.: B100253 Formule: C₁₀H₁₄ Poids moléculaire: 134.22 Beilstein Registry Number: 1903902 Numéro CE: 205-227-0

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488180857

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

CCC(C)C1=CC=CC=C1

WGK Allemagne

2

Poids moléculaire

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
    • 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water; Degree of Solubility in water: 17.6 mg/l 25 °C; Miscible with Ether,Alcohol,Benzene
• Indice de réfraction: 1.49
• Point d'éclair (°C): 45°C
• Point d'ébullition (°C): 173°C
• Point de fusion (°C): -75°C
• Poids moléculaire: 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

Foire aux questions

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.