Isobutylbenzene - ≥99% , CAS No.538-93-2

CAS: 538-93-2 Cat. No.: I108918 Formula: C₁₀H₁₄ Peso molecolare: 134.22 Beilstein Registry Number: 1852218 Numero EC: 208-706-2

GRADE & PURITY ≥99%

Synonyms

isobutyl benzene | NSC24848 | NSC-24848 | ISOBUTYLBENZENE [MI] | Q16912105 | UNII-FI94T26KGB | WLN: 1Y1&1R | EINECS 208-706-2 | NCGC00257100-01 | I4B | NCGC00249144-01 | FT-0627351 | I0097 | NCGC00259540-01 | 2-Methyl-1-phenylpropane | LS-13809 | NSC 2484

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinonimi

isobutyl benzene | NSC24848 | NSC-24848 | ISOBUTYLBENZENE [MI] | Q16912105 | UNII-FI94T26KGB | WLN: 1Y1&1R | EINECS 208-706-2 | NCGC00257100-01 | I4B | NCGC00249144-01 | FT-0627351 | I0097 | NCGC00259540-01 | 2-Methyl-1-phenylpropane | LS-13809 | NSC 2484

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

504752016

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752016

Sorrisi canonici

CC(C)CC1=CC=CC=C1

IUPAC Name

2-methylpropylbenzene

InChIKey

KXUHSQYYJYAXGZ-UHFFFAOYSA-N

INCHI

1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

Isomeri SMILES

CC(C)CC1=CC=CC=C1

WGK Germania

3

RTECS

DA3550000

Numero UN

2709

Peso molecolare

134.22

Beilstein

1852218

Reaxy-Rn

1852218

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1852218&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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water, soluble in ethanol, ether, benzene, and acetone.
• Indice di rifrazione: 1.4855-1.4875
• Punto di infiammabilità (°F): 49°C
• Punto di infiammabilità (°C): 49°C
• Punto di ebollizione (°C): 172.8°C
• Punto di fusione (°C): -52°C
• Peso molecolare: 134.220 g/mol
• XLogP3: 3.900
• 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: 78.000
• 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