2-Ethyltoluene, 98+%, Thermo Scientific Chemicals

Description

2-Ethyltoluene, is used to predict novel lead compounds for drug discovery that depends on the quality of the docking scoring function.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
2-Ethyltoluene, is used to predict novel lead compounds for drug discovery that depends on the quality of the docking scoring function.

Solubility
Soluble in water (74.6 mg/L (25°C)).

Notes
Store away from strong oxidizing agents. Keep container tightly closed. Store in cool, dry conditions in well sealed containers.

Specifications

Chemical Identifiers

• CAS: 611-14-3
• Molecular Formula: C9H12
• Molecular Weight (g/mol): 120.195
• MDL Number: MFCD00009257
• InChI Key: HYFLWBNQFMXCPA-UHFFFAOYSA-N
• Synonym: 2-ethyltoluene, o-ethyltoluene, o-methylethylbenzene, 1-methyl-2-ethylbenzene, toluene, o-ethyl, ortho-ethyltoluene, benzene, 1-ethyl-2-methyl, 1,2-methylethylbenzene, o-ethyl methylbenzene, o-ethyl methyl benzene
• PubChem CID: 11903
• ChEBI: CHEBI:34276
• IUPAC Name: 1-ethyl-2-methylbenzene
• SMILES: CCC1=CC=CC=C1C

• Melting Point: -17°C
• Density: 0.884
• Boiling Point: 164°C to 165°C
• Flash Point: 53°C (127°F)
• Refractive Index: 1.504
• Quantity: 5 g
• UN Number: UN3295
• Beilstein: 1851237
• Solubility Information: Soluble in water (74.6mg/L (25°C)).
• Formula Weight: 120.2
• Percent Purity: ≥98%
• Chemical Name or Material: 2-Ethyltoluene

RUO – Research Use Only