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Product No: AB9971

1-Butyl-3-methylimidazolium acetate, 95%, [BMIM]acetate

Name: 1-Butyl-3-methylimidazolium acetate, 95%
Brand: Chempure

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CAS Number

284049-75-8

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IUPAC name	1-butyl-3-methylimidazol-3-ium;acetate
canonical smiles	CCCCN1C=C[N+](=C1)C.CC(=O)[O-]
inchi	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
molecular formula	C10H18N2O2
synonyms	1-Butyl-3-methylimidazolium acetate 284049-75-8 1-butyl-3-methyl-1H-imidazol-3-ium acetate 1-butyl-3-methylimidazol-3-ium;acetate [bmim]oac

Computed Properties

Molecular Weight:	198.26 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	3
Exact Mass:	198.136827821 g/mol
Monoisotopic Mass:	198.136827821 g/mol
Topological Polar Surface Area:	48.9 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	119
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

Related Compounds

1-Ethyl-3-methylimidazolium acetate

1-Butyl-3-methylimidazolium bicarbonate

1-Ethyl-3-methylimidazolium trifluoroacetate

1-Butyl-3-methylimidazolium trifluoroacetate

ethyl 3-(1H-imidazol-1-yl)propanoate

1-Butyl-3-methylimidazolium acetate

1,3-Diethylimidazolium acetate

1-Butyl-3-methylimidazolium methylcarbonate

Methyl carbonate;1-methyl-3-propylimidazol-1-ium

(1-Butyl-3-methylimidazol-3-ium-2-yl) 2,2,2-trifluoroacetate

1-Butyl-3-methylimidazolium heptafluorobutanoate

1,3-Diethylimidazolium trifluoroacetate

1-Butyl-3-ethylimidazolium-trifluoroacetate

1-Octyl-3-methylimidazolium trifluoroacetate

1,3-Dimethylimidazolium n-butyrate

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (50%) Skin Irrit. 2 (100%) Eye Irrit. 2 (50%)
precautionary statement codes	P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501
hazard statements	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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About this item

Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1-butyl-3-methylimidazol-3-ium;acetate
canonical smiles	CCCCN1C=C[N+](=C1)C.CC(=O)[O-]
inchi	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
molecular formula	C10H18N2O2
synonyms	1-Butyl-3-methylimidazolium acetate 284049-75-8 1-butyl-3-methyl-1H-imidazol-3-ium acetate 1-butyl-3-methylimidazol-3-ium;acetate [bmim]oac

Computed Properties

Molecular Weight:	198.26 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	3
Exact Mass:	198.136827821 g/mol
Monoisotopic Mass:	198.136827821 g/mol
Topological Polar Surface Area:	48.9 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	119
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

Related Compounds

1-Ethyl-3-methylimidazolium acetate

1-Butyl-3-methylimidazolium bicarbonate

1-Ethyl-3-methylimidazolium trifluoroacetate

1-Butyl-3-methylimidazolium trifluoroacetate

ethyl 3-(1H-imidazol-1-yl)propanoate

1-Butyl-3-methylimidazolium acetate

1,3-Diethylimidazolium acetate

1-Butyl-3-methylimidazolium methylcarbonate

Methyl carbonate;1-methyl-3-propylimidazol-1-ium

(1-Butyl-3-methylimidazol-3-ium-2-yl) 2,2,2-trifluoroacetate

1-Butyl-3-methylimidazolium heptafluorobutanoate

1,3-Diethylimidazolium trifluoroacetate

1-Butyl-3-ethylimidazolium-trifluoroacetate

1-Octyl-3-methylimidazolium trifluoroacetate

1,3-Dimethylimidazolium n-butyrate

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (50%) Skin Irrit. 2 (100%) Eye Irrit. 2 (50%)
precautionary statement codes	P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501
hazard statements	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Product No: AB9971

1-Butyl-3-methylimidazolium acetate, 95%, [BMIM]acetate

Product No: AB9971

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AB9971

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?