- Tetrabutylammonium
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- TETRABUTYLAMMONIUM CYANIDE
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Cas Database |
| Name |
Tetrabutylammonium acetate |
EINECS | 234-101-8 |
| CAS No. | 10534-59-5 | Density | 0.99 g/mL at 25 °C |
| PSA | 40.13000 | LogP | 3.75980 |
| 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 | N/A | 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; |
Article Data | 29 |
Tetrabutylammonium acetate Synthetic route
| Conditions | Yield |
|---|---|
| In methanol | 100% |
| In methanol for 24h; Inert atmosphere; | |
| In methanol for 24h; Inert atmosphere; |
| 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
C
- 10534-59-5
tetrabutylammonium acetate
D
- 14797-71-8
18O-labeled water
| 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 |
| Conditions | Yield |
|---|---|
| In methanol at 40℃; for 0.5h; | |
| In water |
A
- 10534-59-5
tetrabutylammonium acetate
B
- 321898-65-1
1-butyl-3-{3-[(3-butyl-thioureido)-methyl]-2-hydroxy-benzyl}-thiourea
| Conditions | Yield |
|---|---|
| In chloroform-d1 at 20℃; Equilibrium constant; |
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 | Yield |
|---|---|
| In dimethylsulfoxide-d6 Equilibrium constant; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: ethyl acetate 2: H2O View Scheme |
A
- 1013937-44-4
N,N''-cis-1,2-cyclohexanediylbis[N'-phenylthiourea]
B
- 10534-59-5
tetrabutylammonium acetate
| Conditions | Yield |
|---|---|
| In dimethylsulfoxide-d6 Equilibrium constant; Further Variations:; Solvents; |
| Conditions | Yield |
|---|---|
| In dimethylsulfoxide-d6 Equilibrium constant; |
| Conditions | Yield |
|---|---|
| In dimethylsulfoxide-d6 Equilibrium constant; |
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.
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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
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