Tetrabutylammonium Acetate

• CAS: 10534-59-5
• Catalog Number: ACM10534595
• Category: Other Products
• Molecular Weight: 301.52
• Molecular Formula: C18H39NO2
• Synonyms: 1-Butanaminium, N,N,N-tributyl-, acetate (1:1)
• IUPAC Name: tetrabutylazanium;acetate
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CC(=O)[O-]
• 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
• InChI Key: MCZDHTKJGDCTAE-UHFFFAOYSA-M
• Melting Point: 98 °C
• Appearance: White to Yellow powder to lump
• Storage: Store under inert gas
• Active Content: 95%
• Complexity: 142
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• EC Number: 234-101-8
• Exact Mass: 301.298g/mol
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 2
• Heavy Atom Count: 21
• MDL Number: MFCD00043208
• Monoisotopic Mass: 301.298g/mol
• Physical State: White crystal or powder
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Rotatable Bond Count: 12
• Signal Word: Warning
• Solubility In Water: Soluble
• Topological Polar Surface Area: 40.1A^2

Synthetic Use

Downstream Synthesis Route 1

• 10534-59-5

• 758-12-3
• 429-41-4

Reference: [1] Journal of Molecular Structure, 2004, vol. 700, # 1-3, p. 3 - 12

Downstream Synthesis Route 2

• 10534-59-5
• 154026-94-5

• 154026-95-6

Reference: [1] Patent: WO2012/17242, 2012, A1, . Location in patent: Page/Page column 20

Downstream Synthesis Route 3

• 10534-59-5

• 154026-95-6

Reference: [1] Patent: WO2014/203045, 2014, A1, . Location in patent: Page/Page column 44

Downstream Synthesis Route 4

• 4455-09-8
• 10534-59-5

• 103-45-7

Reference: [1]Journal of the American Chemical Society,1971,vol. 93,p. 4735 - 4749

Downstream Synthesis Route 5

• 592-76-7
• 10534-59-5
• 7182-86-7

• 5401-62-7
• 5837-71-8
• 5433-23-8

Reference: [1]Journal of Organic Chemistry USSR (English Translation),1984,vol. 20,p. 205 - 213
Zhurnal Organicheskoi Khimii,1984,vol. 20,p. 233 - 242

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