1-ethyl-3-methyl-1H-imidazol-3-ium diethyl phosphate

• ChemBase ID: 140385
• Molecular Formular: C10H21N2O4P
• Molecular Mass: 264.258501
• Monoisotopic Mass: 264.12389379
• SMILES: CCn1cc[n+](c1)C.CCOP(=O)([O-])OCC
• Canonical SMILES: CCn1cc[n+](c1)C.CCOP(=O)(OCC)[O-]
• InChI: InChI=1S/C6H11N2.C4H11O4P/c1-3-8-5-4-7(2)6-8;1-3-7-9(5,6)8-4-2/h4-6H,3H2,1-2H3;3-4H2,1-2H3,(H,5,6)/q+1;/p-1
• InChIKey: HQWOEDCLDNFWEV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-methyl-1H-imidazol-3-ium diethyl phosphate
• IUPAC Traditional name: 1-ethyl-3-methylimidazolium diethyl phosphate
• Synonyms: Basionics® LQ 11; EMIM DEP; 1-Ethyl-3-methylimidazolium diethyl phosphate; 1-乙基-3-甲基咪唑二乙基磷酸盐

Database IDs

• CAS Number: 848641-69-0
• MDL Number: MFCD09953486
• Beilstein Number: 10726450
• PubChem SID: 162234629
• PubChem CID: 53316406

CALCULATED PROPERTIES

• Acid pKa: 1.946159
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.8991421
• LogD (pH = 7.4): -1.9266036
• Log P: 0.44943354
• Molar Refractivity: 31.992 cm^3
• Polarizability: 13.285215 Å^3
• Polar Surface Area: 58.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 19-21°C
• Density: 1.157
• Refractive Index: n20/D 1.475

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 22-34
• Safety Statements: 26-33/37/39-45-60; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H318; H302-H314
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: ≥98.0%; ≥98.0% (HPLC); 98%
• Grade: produced by BASF
• Impurities: ≤0.5% water; ≤1.0% water
• Empirical Formula (Hill Notation): C10H21N2O4P

DETAILS

Sigma Aldrich - 713392

Packaging
1 kg in glass bottle
100 g in glass bottle
Legal Information
Basionics is a registered trademark of BASF SE

Sigma Aldrich - 671541

Packaging
5, 50 g in poly bottle