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

CAS: 620-14-4 Cat. No.: E113367 Formula: C₉H₁₂ Peso molecolare: 120.19 Beilstein Registry Number: 1850821 Numero EC: 210-626-8

QUALITÀ & PUREZZA ≥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

Specifiche

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508808807

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

CCC1=CC=CC(=C1)C

WGK Germania

3

RTECS

DA0712000

Numero UN

3295

Gruppo di imballaggio

I

Peso molecolare

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
    • 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: 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

Obiettivi associati (non umani)

Oryctolagus cuniculus (11301 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Not miscible or difficult to mix in water.
• Indice di rifrazione: 1.496
• Punto di infiammabilità (°F): 100.4 °F
• Punto di infiammabilità (°C): 38℃
• Punto di ebollizione (°C): 158-159 °C
• Punto di fusione (°C): -96°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: 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