1-ethyl-3-methyl-1H-imidazol-3-ium ethyl sulfate

• ChemBase ID: 142077
• Molecular Formular: C8H16N2O4S
• Molecular Mass: 236.28864
• Monoisotopic Mass: 236.083078
• SMILES: CCn1cc[n+](c1)C.CCOS(=O)(=O)[O-]
• Canonical SMILES: CCn1cc[n+](c1)C.CCOS(=O)(=O)[O-]
• InChI: InChI=1S/C6H11N2.C2H6O4S/c1-3-8-5-4-7(2)6-8;1-2-6-7(3,4)5/h4-6H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
• InChIKey: VRFOKYHDLYBVAL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-methyl-1H-imidazol-3-ium ethyl sulfate
• IUPAC Traditional name: 1-ethyl-3-methylimidazolium ethyl sulfate
• Synonyms: Basionics® LQ 01; 1-Ethyl-3-methylimidazolium ethyl sulfate; ECOENG 212; 1-乙基-3-甲基咪唑硫酸乙酯

Database IDs

• CAS Number: 342573-75-5
• MDL Number: MFCD06798189
• PubChem SID: 24873900; 162236308; 24846117
• PubChem CID: 12095229

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.1130686
• LogD (pH = 7.4): -3.1130686
• Log P: -3.1130686
• Molar Refractivity: 33.6013 cm^3
• Polarizability: 12.75589 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: <-30°C
• Flash Point: 154 °C; 162°C(324°F); 309.2 °F
• Density: 1.24
• Refractive Index: n20/D 1.481

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95%; ≥98.5% (T); 99%
• Grade: for catalysis; produced by BASF
• Impurities: ≤200 ppm water
• Empirical Formula (Hill Notation): C8H16N2O4S

DETAILS

Sigma Aldrich - 51682

Other Notes
prices for bulk quantities on request
Packaging
1 kg in glass bottle
100 g in glass bottle
Application
Basionic Ionic Liquids
Legal Information
Basionics is a registered trademark of BASF SE