Tetrabutylammonium acetate supplier

Name
Tetrabutylammonium acetate
EINECS 234-101-8
CAS No. 10534-59-5
Article Data29
CAS DataBase
Density 0.99 g/mL at 25 °C
Solubility Acetonitrile: 0.1 g/mL
Melting Point 95-98 °C
Formula C₁₆H₃₆N^.C₂H₃O₂
Boiling Point 100 °C
Molecular Weight 301.513
Flash Point 100°C
Transport Information
Appearance white or light yellow crystalline powder
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Butanaminium, N,N,N-tributyl-, acetate;Tetrabutylammonium acetate (tbaac);Tetra-n-butylammonium acetate;
PSA 40.13000
LogP 3.75980

Synthetic route

: 1112-67-0
tetrabutyl-ammonium chloride

: 127-08-2
potassium acetate

: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
In methanol	100%
In methanol for 24h; Inert atmosphere;
In methanol for 24h; Inert atmosphere;

: 2052-49-5
tetra(n-butyl)ammonium hydroxide

: 64-19-7
acetic acid

: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
In methanol at 20℃;	81%
In methanol
In methanol

: 67-56-1
methanol

: 31645-88-2
Os(18)O4

: 10442-39-4
tetra-n-butylammonium cyanide

: 64-19-7
acetic acid

A: 50-00-0
formaldehyd

: tetrabutylammonium trans-(18)O-dioxotetracyanoosmate(VI)

C: 10534-59-5
tetrabutylammonium acetate

D: 14797-71-8
18O-labeled water

Conditions

Conditions	Yield
In methanol under inert gas; (n-Bu4N)CN added to a soln. of Os(18)O4 in abs. MeOH; dropwise addn. of acetic acid/MeOH in 45 min; solvent removed in vac., pptd. Os complex isolated;	A n/a B 70% C n/a D n/a

...Expand

: 563-63-3
silver(I) acetate

: 311-28-4
tetra-(n-butyl)ammonium iodide

: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
In methanol at 40℃; for 0.5h;
In water

: C18H30N4OS2*C16H36N(1+)*C2H3O2(1-)

A: 10534-59-5
tetrabutylammonium acetate

B: 321898-65-1
1-butyl-3-{3-[(3-butyl-thioureido)-methyl]-2-hydroxy-benzyl}-thiourea

Conditions

Conditions	Yield
In chloroform-d1 at 20℃; Equilibrium constant;

: C25H35N3O7*C16H36N(1+)*C2H3O2(1-)

A: 10534-59-5
tetrabutylammonium acetate

B: 411223-76-2
1-[4-(2-amino-ethyl)-phenyl]-3-(6,7,9,10,12,13,15,16,18,19-decahydro-5,8,11,14,17,20-hexaoxa-benzocyclooctadecen-2-yl)-urea

Conditions

Conditions	Yield
In dimethylsulfoxide-d6 Equilibrium constant;

: 102-82-9
tributyl-amine

dibutyl-decyl-amine: dibutyl-decyl-amine

: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ethyl acetate 2: H2O View Scheme

: C2H3O2(1-)*C16H36N(1+)*C20H24N4S2

A: 1013937-44-4
N,N''-cis-1,2-cyclohexanediylbis[N'-phenylthiourea]

B: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
In dimethylsulfoxide-d6 Equilibrium constant; Further Variations:; Solvents;

: C2H3O2(1-)*C16H36N(1+)*C22H22N4S2

A: 37042-64-1
C22H22N4S2

B: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
In dimethylsulfoxide-d6 Equilibrium constant;

: C2H3O2(1-)*C16H36N(1+)*C26H24N4S2

A: 1013937-45-5
C26H24N4S2

B: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
In dimethylsulfoxide-d6 Equilibrium constant;

: C2H3O2(1-)*C16H36N(1+)*C31H26F6N4S2

A: 1013937-46-6
C31H26F6N4S2

B: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
In dimethylsulfoxide-d6 Equilibrium constant;

: C2H3O2(1-)*C16H36N(1+)*C40H42N8S4

A: 1013937-47-7
C40H42N8S4

B: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
In tetrahydrofuran-d8; dimethylsulfoxide-d6 Equilibrium constant;

: 1010696-77-1
C25H28N2O2

: 429-42-5
tetrabutylammonium tetrafluoroborate

A: 10534-59-5
tetrabutylammonium acetate

B: bis(lilolidin-8-yl)methylium tetrafluoroborate

Conditions

Conditions	Yield
In water; acetonitrile at 25℃; Kinetics; Further Variations:; Solvents;

...Expand

: C27H32N2O2

: 429-42-5
tetrabutylammonium tetrafluoroborate

A: 10534-59-5
tetrabutylammonium acetate

B: bis(julolidin-9-yl)methylium tetrafluoroborate

Conditions

Conditions	Yield
In water; acetonitrile at 25℃; Kinetics; Further Variations:; Solvents;

...Expand

: C21H24N2O2

: 429-42-5
tetrabutylammonium tetrafluoroborate

A: 10534-59-5
tetrabutylammonium acetate

B: bis(1-methyl-2,3-dihydroindol-5-yl)methylium tetrafluoroborate

Conditions

Conditions	Yield
In water; acetonitrile at 25℃; Kinetics; Further Variations:; Solvents;

...Expand

: C23H28N2O2

: 429-42-5
tetrabutylammonium tetrafluoroborate

A: 10534-59-5
tetrabutylammonium acetate

B: bis(N-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methylium tetrafluoroborate

Conditions

Conditions	Yield
In water; acetonitrile at 25℃; Kinetics; Further Variations:; Solvents;

...Expand

: C25H32N2O2

: 429-42-5
tetrabutylammonium tetrafluoroborate

A: BF4(1-)*C23H29N2(1+)

B: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
In water; acetonitrile at 25℃; Kinetics; Further Variations:; Solvents;

...Expand

: 444178-11-4
C19H24N2O2

: 429-42-5
tetrabutylammonium tetrafluoroborate

A: 10534-59-5
tetrabutylammonium acetate

B: bis(4-(dimethylamino)phenyl)methylium tetrafluoroborate

Conditions

Conditions	Yield
In water; acetonitrile at 25℃; Kinetics; Further Variations:; Solvents;

...Expand

: 3240-34-4
[bis(acetoxy)iodo]benzene

A: 26735-53-5
iodobenzene difluoride

B: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In acetonitrile at 20℃;

: C2H3O2(1-)*C16H36N(1+)*C19H14N6O5

A: C19H14N6O5

B: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
In dimethyl sulfoxide Equilibrium constant;

: C2H3O2(1-)*C16H36N(1+)*C21H20N6O3

A: C21H20N6O3

B: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
In dimethyl sulfoxide Equilibrium constant;

: 1242065-14-0
C2H3O2(1-)*C16H36N(1+)*C30H33N3O12

A: 1242065-09-3
C30H33N3O12

B: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
In [D3]acetonitrile at 23℃; Equilibrium constant;

: 127-09-3
sodium acetate

: 32503-27-8
tetra(n-butyl)ammonium hydrogensulfate

: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
In water for 0.5h;

: 19169-97-2
m-(diacetoxyiodo)toluene

: 429-41-4
tetrabutyl ammonium fluoride

: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
In diethyl ether; chloroform

: 102-82-9
tributyl-amine

: 10534-59-5
tetrabutylammonium acetate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: acetonitrile / 33 h / 82 °C 2: potassium hydroxide / acetonitrile; ethanol / 50 h / 4 °C 3: ethanol / 1 h View Scheme

: 10534-59-5
tetrabutylammonium acetate

: 115306-81-5
N-<3(S)-<(methanesulfonyl)oxy><3-2H>propyl>phtalimide

: 115306-73-5
C13H12(2)HNO4

Conditions

Conditions	Yield
In acetone for 15h; Ambient temperature;	100%

: 10534-59-5
tetrabutylammonium acetate

: [(1RS,7aRS)-3-oxohexahydro-1H-pyrrolizin-1-yl]methyl 4-methylbenzenesulfonate

: [(1RS,7aRS)-3-oxohexahydro-1H-pyrrolizin-1-yl]methyl acetate

Conditions

Conditions	Yield
With sodium iodide In tetrahydrofuran at 20℃; for 12h;	100%

: 616-42-2
dimethylsulfite

: 10534-59-5
tetrabutylammonium acetate

: tetrabutylammonium methylsulfite

Conditions

Conditions	Yield
at 20℃; for 91h;	100%

: 616-42-2
dimethylsulfite

: 10534-59-5
tetrabutylammonium acetate

: 919788-71-9
tetrabutylammonium ethylsulfite

Conditions

Conditions	Yield
at 20℃; for 116h;	100%

: 616-42-2
dimethylsulfite

: 10534-59-5
tetrabutylammonium acetate

: 65411-49-6
tetrabutylammonium methanesulfonate

Conditions

Conditions	Yield
at 120℃; for 28h; Product distribution / selectivity;	100%

: 1380664-98-1
[2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-hydroxy-7-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-carbamic acid phenylmethyl ester

: 10534-59-5
tetrabutylammonium acetate

: 1380665-17-7
N-[7-[(acetyloxy)methyl]-2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-hydroxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-carbamic acid phenylmethyl ester

Conditions

Conditions	Yield
In dimethyl sulfoxide at 80℃; for 72h;	100%

: 10534-59-5
tetrabutylammonium acetate

: 154026-94-5
(4R-cis)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxane-4-acetic acid,1,1-dimethylethyl ester

: 154026-95-6
(4R-cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid tert-butyl ester

Conditions

Conditions	Yield
at 115℃; for 7h;	99.1%
In 1-methyl-pyrrolidin-2-one at 25 - 95℃; for 24h;	7.2 g

: 5460-29-7
2-(3-bromopropyl)isoindole-1,3-dione

: 10534-59-5
tetrabutylammonium acetate

: 71510-43-5
N-(3-acetoxypropyl)phtalimide

Conditions

Conditions	Yield
In acetone for 8h; Ambient temperature;	99%

: 201230-82-2
carbon monoxide

: (C6H10Zn(NCHC12H6OC4H9)2)2(Rh(SC2H4P(C6H5)2)2)2(2+)*2BF4(1-)=(C6H10Zn(NCHC12H6OC4H9)2)2(Rh(SC2H4P(C6H5)2)2)2(BF4)2

: 10534-59-5
tetrabutylammonium acetate

: (C6H10Zn(NCHC12H6OC4H9)2)2(Rh(SC2H4P(C6H5)2)2CO(OCOCH3))2

Conditions

Conditions	Yield
In dichloromethane 2 equiv of (n-C4H9)4NOCOCH3 at room temp. under CO atm.;	99%

...Expand

: 10534-59-5
tetrabutylammonium acetate

: 144397-07-9
(4R,5S)-2-Chloromethyl-4-methyl-5-phenyl-4,5-dihydro-oxazole

: Acetic acid (4R,5S)-4-methyl-5-phenyl-4,5-dihydro-oxazol-2-ylmethyl ester

Conditions

Conditions	Yield
In acetone for 15h;	98%

: 1061674-74-5
ethyl (13E)-6β,7β-carbonyldioxy-labda-8,13-dien-15-oate

: 10534-59-5
tetrabutylammonium acetate

: 1061674-76-7
ethyl (13E)-7α-acetoxy-6β-hydroxy-labda-8,13-dien-15-oate

Conditions

Conditions	Yield
In toluene at 100℃; for 18h;	98%

: 10534-59-5
tetrabutylammonium acetate

: (2R,3S,4R,5S,6S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-6-iodomethyl-4-(4-methoxy-benzyloxy)-3-methyl-5-triisopropylsilanyloxy-tetrahydro-pyran

: 512782-07-9
Acetic acid (2R,3S,4R,5S,6R)-6-(tert-butyl-dimethyl-silanyloxymethyl)-4-(4-methoxy-benzyloxy)-5-methyl-3-triisopropylsilanyloxy-tetrahydro-pyran-2-ylmethyl ester

Conditions

Conditions	Yield
In benzene Heating;	97%

: 1623-88-7
5-chloromethylfurfural

: 10534-59-5
tetrabutylammonium acetate

: 10551-58-3
5-acetoxymethyl-2-furaldehyde

Conditions

Conditions	Yield
In acetonitrile at 20℃; under 760.051 Torr; for 0.0833333h;	97%
In acetonitrile at 20℃; Solvent; Temperature; Time;	96%

: 10534-59-5
tetrabutylammonium acetate

: 1-[(2R,5S)-5-(tert-Butyl-dimethyl-silanyloxymethyl)-3-iodomethyl-2,5-dihydro-furan-2-yl]-1H-pyrimidine-2,4-dione

: Acetic acid (2R,5S)-5-(tert-butyl-dimethyl-silanyloxymethyl)-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2,5-dihydro-furan-3-ylmethyl ester

Conditions

Conditions	Yield
In dichloromethane	96%

: 10534-59-5
tetrabutylammonium acetate

: 306734-02-1
7-bromo-dimethoxycannabidiol

: 306734-03-2
7-acetoxy-dimethoxycannabidiol

Conditions

Conditions	Yield
With 4 A molecular sieve for 2h; Heating;	96%
With 4 A molecular sieve In acetone for 2h; Substitution; Heating;	96%

: (+)-7-bromo-dimethoxy-CBD

: 10534-59-5
tetrabutylammonium acetate

: (+)-7-acetoxy-dimethoxy-CBD

Conditions

Conditions	Yield
In acetone for 2h; Heating / reflux;	96%

: C16H22(2)HF3O5S

: 10534-59-5
tetrabutylammonium acetate

: C17H25(2)HO4

Conditions

Conditions	Yield
With palladium diacetate; di-tert-butyl (2'-methyl-[1,1'-biphenyl]-2-yl)phosphine In toluene at 90℃; for 5h; Inert atmosphere;	96%

: C15H23F3O3S

: 10534-59-5
tetrabutylammonium acetate

: C16H26O2

Conditions

Conditions	Yield
With palladium diacetate; di-tert-butyl (2'-methyl-[1,1'-biphenyl]-2-yl)phosphine In toluene at 90℃; for 5h; Inert atmosphere;	96%

: 10534-59-5
tetrabutylammonium acetate

: 157520-44-0
3,3-dimethyl-6-(3'-methylbut-3'-enyl)-6-methoxycarbonylcyclohexenyl triflate

: C17H26O4

Conditions

Conditions	Yield
With palladium diacetate; di-tert-butyl (2'-methyl-[1,1'-biphenyl]-2-yl)phosphine In toluene at 90℃; for 5h; Inert atmosphere;	96%

: 4456-34-2
bis(4-methoxyphenyl)telluride

: 10534-59-5
tetrabutylammonium acetate

: 39652-02-3
bis(4-methoxyphenyl)-λ4-tellanediyl diacetate

Conditions

Conditions	Yield
In acetonitrile electrolysis;	95%

: 10534-59-5
tetrabutylammonium acetate

: 91685-86-8
(6R,7S)-3-Bromomethyl-7-[(R)-1-(tert-butyl-dimethyl-silanyloxy)-ethyl]-8-oxo-4,5-dithia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester

: 91685-96-0
(6R,7S)-3-Acetoxymethyl-7-[(R)-1-(tert-butyl-dimethyl-silanyloxy)-ethyl]-8-oxo-4,5-dithia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester

Conditions

Conditions	Yield
	95%

: 10534-59-5
tetrabutylammonium acetate

: 98-59-9
p-toluenesulfonyl chloride

: 26908-82-7
acetyl p-toluenesulfonate

Conditions

Conditions	Yield
In dichloromethane for 4h;	95%

: 10534-59-5
tetrabutylammonium acetate

: 183505-17-1
(1R,2S,3S,4S,5S)-1-azido-4,5-di-O-acetyl-3-O-benzyl-5-((benzyloxy)methyl)-2-O-(trifluoromethanesulfonyl)cyclohexane-2,3,4,5-tetrol

: 171339-43-8
(1R,2R,3R,4S,5S)-1-azido-2,4,5-triacetyl-3-O-benzyl-5-((benzyloxy)methyl)cyclohexane-2,3,4,5-tetrol

Conditions

Conditions	Yield
In tetrahydrofuran	95%
In tetrahydrofuran for 1h; Ambient temperature;	95%

: 10534-59-5
tetrabutylammonium acetate

: 2-{(R)-16-[(2S,3S,4R,5R)-2-Acetoxy-3,4,6-tris-benzyloxy-5-((2R,3R,4S,5R,6R)-4,5-bis-benzyloxy-6-benzyloxymethyl-3-trifluoromethanesulfonyloxy-tetrahydro-pyran-2-yloxy)-hexanoyloxy]-heptadecyl}-6-benzyloxy-benzoic acid benzyl ester

: 2-{(R)-16-[(2S,3S,4R,5R)-2-Acetoxy-5-((2S,3S,4S,5R,6R)-3-acetoxy-4,5-bis-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yloxy)-3,4,6-tris-benzyloxy-hexanoyloxy]-heptadecyl}-6-benzyloxy-benzoic acid benzyl ester

Conditions

Conditions	Yield
In toluene for 16h; Substitution; ultrasound;	95%

: 866088-07-5
O-benzyl-chloroacetol methyl acetal ((2S, 4R)-4-(benzyloxy)-2-(chloromethyl)-6-methoxytetrahydro-2H-pyran)

: 10534-59-5
tetrabutylammonium acetate

: 866088-08-6
C16H22O5

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 100℃; for 24h;	95%

: 1208327-45-0
1-O-tert-butyldimethylsilyl-2-O-triisopropylsilyl-3-iodo-sn-glycerol

: 10534-59-5
tetrabutylammonium acetate

: 1208327-56-3
1-O-tert-butyldimethylsilyl-2-O-triisopropylsilyl-3-acetyl-sn-glycerol

Conditions

Conditions	Yield
In toluene at 80℃; for 1.5h; Inert atmosphere;	95%

: 1208327-47-2
1-oleoyl-2-O-tert-butyldimethylsilyl-3-iodo-sn-glycerol

: 10534-59-5
tetrabutylammonium acetate

: 1208327-72-3
1-oleoyl-2-O-tert-butyldimethylsilyl-3-acetyl-sn-glycerol

Conditions

Conditions	Yield
In toluene at 80℃; for 1.5h; Inert atmosphere;	95%

: 847949-27-3
2-((1S,6S)-3-Bromomethyl-6-isopropenyl-cyclohex-2-enyl)-1,3-dimethoxy-5-pentyl-benzene

: 10534-59-5
tetrabutylammonium acetate

: 847949-28-4
Acetic acid (3S,4S)-3-(2,6-dimethoxy-4-pentyl-phenyl)-4-isopropenyl-cyclohex-1-enylmethyl ester

Conditions

Conditions	Yield
With 4 A molecular sieve for 2h; Heating;	94%

: 1061674-21-2
6β,7β-carbonyldioxy-14,15-dinorlabd-8-en-13-one

: 10534-59-5
tetrabutylammonium acetate

: 1061674-64-3
7α-acetoxy-6β-hydroxy-14,15-dinorlabd-8-en-13-one

Conditions

Conditions	Yield
In toluene at 100℃; for 20h;	94%

Tetrabutylammonium acetate Specification

The IUPAC name of Tetrabutylammonium acetate is tetrabutylazanium acetate. With the CAS registry number 10534-59-5, it is also named as 1-Butanaminium, N,N,N-tributyl-, acetate. The product's categories are Quarternary Ammonium Salts; Ammonium Salts Analytical Reagents; Electro Chemistry; Supporting Electrolytes for Electrochemistry; Ammonium Salts; Greener Alternatives: Catalysis; Phase Transfer Catalysts, and the other registry number is 868274-17-3. Besides, it is white or light yellow crystalline powder, which should be stored in sealed, cool and dry place. In addition, its molecular formula is C₁₆H₃₆N^.C₂H₃O₂ and molecular weight is 301.51.

The other characteristics of this product can be summarized as: (1)H-Bond Acceptor: 2; (2)Rotatable Bond Count: 12; (3)Exact Mass: 301.29808; (4)MonoIsotopic Mass: 301.29808; (5)Topological Polar Surface Area: 40.1; (6)Heavy Atom Count: 21; (7)Complexity: 142; (8)EINECS: 234-101-8; (9)Density: 0.99 g/mL at 25 °C; (10)Solubility: Acetonitrile: 0.1 g/mL; (11)Flash Point: 100 °C; (12)Boiling Point: 100 °C; (13)Melting point: 95-98 °C.

Uses of Tetrabutylammonium acetate: this chemical can be used as surfactant, catalyst, emulsifier, disinfectant, fungicides, anti-static agent, etc. Similarly, it can react with Benzene-1,2,4,5-tetracarbonitrile to get Bis(2,4,5-tricyanophenyl)methane.

This reaction needs Acetonitrile at ambient temperature for 2 hours. The yield is 38 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: [O-]C(=O)C.[N+](CCCC)(CCCC)(CCCC)CCCC
(2)InChI: InChI=1/C16H36N.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1;
(3)InChIKey: MCZDHTKJGDCTAE-REWHXWOFAC
(4)Std. InChI: InChI=1S/C16H36N.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
(5)Std. InChIKey: MCZDHTKJGDCTAE-UHFFFAOYSA-M

Product Name

Tetrabutylammonium acetate

Synthetic route

Tetrabutylammonium acetate Specification

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