4-Etiltoluene - ≥97% , CAS No.622-96-8

CAS: 622-96-8 Cat. No.: E123489 Formula: C₂H₅C₆H₄CH₃ Peso molecolare: 120.19 Beilstein Registry Number: 1903007 Numero EC: 210-761-2

QUALITÀ & PUREZZA ≥97%

Synonyms

1-Metil-4-etilbenzene | UNII-G6JY83VLB5 | 4-Etiltoluene | AKOS015889277 | E0186 | CAS-622-96-8 | BDBM50167943 | p-etil toluene | Tox21_200472 | NCGC00258026-01 | WLN: 2R D1 | para-etil-toluene | 1,4-metiletilbenzene | InChI=1/C9H12/c1-3-9-6-4-8(2)5-

Storage

Room temperature

Shipped In

Normale

Specifiche

Sinonimi

1-Metil-4-etilbenzene | UNII-G6JY83VLB5 | 4-Etiltoluene | AKOS015889277 | E0186 | CAS-622-96-8 | BDBM50167943 | p-etil toluene | Tox21_200472 | NCGC00258026-01 | WLN: 2R D1 | para-etil-toluene | 1,4-metiletilbenzene | InChI=1/C9H12/c1-3-9-6-4-8(2)5-

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488181568

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181568

Sorrisi canonici

CCC1=CC=C(C=C1)C

IUPAC Name

1-ethyl-4-methylbenzene

InChIKey

JRLPEMVDPFPYPJ-UHFFFAOYSA-N

INCHI

1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

Isomeri SMILES

CCC1=CC=C(C=C1)C

WGK Germania

3

RTECS

XT2550000

Numero UN

3295

Gruppo di imballaggio

I

Peso molecolare

120.19

Beilstein

1903007

Reaxy-Rn

1903007

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903007&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Indice di rifrazione: 1.495
• Punto di infiammabilità (°F): 109.4 °F
• Punto di infiammabilità (°C): 36°C(Lit.)
• Punto di ebollizione (°C): 161°C
• Punto di fusione (°C): -62°C
• Peso molecolare: 120.190 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 120.094 Da
• Monoisotopic Mass: 120.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 68.100
• 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