1-Butyl-3-methylimidazolium acetate

• CAS: 284049-75-8
• Catalog Number: ACM284049758
• Category: Imidazolium Ionic Liquids
• Molecular Weight: 198.26
• Molecular Formula: C10H18N2O2
• Description: 1-Butyl-3-methylimidazolium acetate can be used as an additive to electrolytes for non-aqueous capillary electrophoresis (NACE) due to its air- and water-stability and miscibility with most of CE solvents.
• Synonyms: BMIM OAc, C1C4Im OAc, Im14 OAc
• IUPAC Name: 1-butyl-3-methylimidazol-3-ium;acetate
• Canonical SMILES: CCCCN1C=C[N+](=C1)C.CC(=O)[O-]
• InChI: 1S/C8H15N2.C2H4O2/c1-3-4-5-10-7-6-9(2)8-10;1-2(3)4/h6-8H,3-5H2,1-2H3;1H3,(H,3,4)/q+1;/p-1
• InChI Key: BSKSXTBYXTZWFI-UHFFFAOYSA-M
• Melting Point: 37 °C
• Flash Point: 307.4 °F - closed cup
• Appearance: Liquid
• Application: 1-Butyl-3-methylimidazolium acetate is an ionic liquid
• Storage: −20°C
• Abbreviation: BMIMAc
• Chemical Formula: BMIMAc
• Complexity: 119
• Covalently-Bonded Unit Count: 2
• Exact Mass: 198.136828g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 14
• MDL Number: MFCD06798175
• Monoisotopic Mass: 198.136828g/mol
• Refractive Index: n20/D 1.578
• Rotatable Bond Count: 3
• Viscosity: 208 cP (25 °C)

Custom Q&A

What is the molecular formula of 1-butyl-3-methylimidazolium acetate?

The molecular formula is C10H18N2O2.

What are some synonyms for 1-butyl-3-methylimidazolium acetate?

Some synonyms include 1-butyl-3-methyl-1H-imidazol-3-ium acetate and [bmim]oac.

What is the molecular weight of 1-butyl-3-methylimidazolium acetate?

The molecular weight is 198.26 g/mol.

When was 1-butyl-3-methylimidazolium acetate first created?

It was first created in 2007-03-07.

What is the IUPAC name of 1-butyl-3-methylimidazolium acetate?

The IUPAC name is 1-butyl-3-methylimidazol-3-ium;acetate.

What is the InChIKey of 1-butyl-3-methylimidazolium acetate?

The InChIKey is BSKSXTBYXTZWFI-UHFFFAOYSA-M.

What is the molecular formula of the parent compound of 1-butyl-3-methylimidazolium acetate?

The parent compound has the molecular formula CID 2734162 (1-butyl-3-methyl-1H-imidazol-3-ium).

How many hydrogen bond acceptors are in 1-butyl-3-methylimidazolium acetate?

There are 2 hydrogen bond acceptors.

What is the topological polar surface area of 1-butyl-3-methylimidazolium acetate?

The topological polar surface area is 48.9?2.

Is 1-butyl-3-methylimidazolium acetate a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Downstream Synthesis Route 1

• 284049-75-8

• 79917-90-1

Reference: [1] Patent: US2010/217010, 2010, A1, . Location in patent: Page/Page column 7-8

Downstream Synthesis Route 2

• 27650-59-5
• 284049-75-8

• 27650-56-2

Reference: [1]Kim, Dong Wook; Hong, Dong Jin; Seo, Jai Woong; Kim, Hoon Sik; Kim, Hong Kon; Song, Choong Eui; Chi, Dae Yoon
[Journal of Organic Chemistry, 2004, vol. 69, # 9, p. 3186 - 3189]

* For details of the synthesis route, please refer to the original source to ensure accuracy.