3-Ethyltoluene - ≥98% , CAS No.620-14-4

CAS: 620-14-4 Cat. No.: E113367 Fórmula: C₉H₁₂ Peso molecular: 120.19 Beilstein Registry Number: 1850821 Número EC: 210-626-8

CALIDAD & PUREZA ≥98%

Synonyms

DTXSID6050386 | m-Ethylmethylbenzene | AKOS009158576 | Benzene, 3-ethyl-1-methyl- | EN300-32024 | F11740 | m-Ethyl_toluene | 1-Ethyl-3-methylbenzene | 1-Ethyl-3-methyl-benzene | M-ETHYLTOLUENE | 1398065-64-9 | 3-ethyl toluene | Toluene, m-ethyl- | Z337707

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

DTXSID6050386 | m-Ethylmethylbenzene | AKOS009158576 | Benzene, 3-ethyl-1-methyl- | EN300-32024 | F11740 | m-Ethyl_toluene | 1-Ethyl-3-methylbenzene | 1-Ethyl-3-methyl-benzene | M-ETHYLTOLUENE | 1398065-64-9 | 3-ethyl toluene | Toluene, m-ethyl- | Z337707

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

508808807

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808807

Sonrisas canónicas

CCC1=CC=CC(=C1)C

IUPAC Name

1-ethyl-3-methylbenzene

InChIKey

ZLCSFXXPPANWQY-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

CCC1=CC=CC(=C1)C

WGK Alemania

3

RTECS

DA0712000

Número ONU

3295

Grupo de embalaje

I

Peso molecular

120.19

Beilstein

1850821

Reaxy-Rn

1850821

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1850821&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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: toluenes

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

Objetivos asociados (no humanos)

Oryctolagus cuniculus (11301 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Not miscible or difficult to mix in water.
• Índice de refracción: 1.496
• Punto de inflamación (°F): 100.4 °F
• Punto de inflamación (°C): 38℃
• Punto de ebullición (°C): 158-159 °C
• Punto de fusión (°C): -96°C
• Peso molecular: 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: 76.100
• 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