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

• ChemBase ID: 139283
• Molecular Formular: C8H14N2O2
• Molecular Mass: 170.20896
• Monoisotopic Mass: 170.1055277
• SMILES: CCn1cc[n+](c1)C.CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.CCn1cc[n+](c1)C
• InChI: InChI=1S/C6H11N2.C2H4O2/c1-3-8-5-4-7(2)6-8;1-2(3)4/h4-6H,3H2,1-2H3;1H3,(H,3,4)/q+1;/p-1
• InChIKey: XIYUIMLQTKODPS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-methyl-1H-imidazol-3-ium acetate
• IUPAC Traditional name: 1-ethyl-3-methylimidazolium acetate
• Synonyms: Basionics® BC 01; EMIM Ac; 1-Ethyl-3-methylimidazolium acetate; 1-乙基-3-甲基咪唑醋酸盐

Database IDs

• CAS Number: 143314-17-4
• MDL Number: MFCD06798186
• PubChem SID: 24873509; 162233531
• PubChem CID: 11658353

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: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >30 °C (product can occur as an undercooled melt)
• Flash Point: 164 °C; 327.2 °F
• Density: 1.027 g/cm3 at 25 °C
• Refractive Index: n20/D 1.502

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥90%; ≥96.5% (HPLC); 97%
• Grade: produced by BASF
• Impurities: ≤0.5% water
• Empirical Formula (Hill Notation): C8H14N2O2

DETAILS

Sigma Aldrich - 51053

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

Sigma Aldrich - 689483

Packaging
5, 50 g in glass bottle