n-Butylammonium acetate

Base Information

• Chemical Name: n-Butylammonium acetate
• CAS No.: 1641-36-7
• Molecular Formula: C6H15NO2
• Molecular Weight: 133.191
• Hs Code.: 2923900090
• DSSTox Substance ID: DTXSID8061842
• Mol file: 1641-36-7.mol

Synonyms:butyl ammonium acetate;n-butylammonium acetate;SCHEMBL384189;DTXSID8061842;LXTKCTMGEWVPTB-UHFFFAOYSA-N

Chemical Property of n-Butylammonium acetate

Chemical Property:

• Vapor Pressure: 97.3mmHg at 25°C
• Boiling Point: 77.3°Cat760mmHg
• Flash Point: 98.2°C
• PSA: 63.32000
• Density: g/cm³
• LogP: 1.53640
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 133.110278721
• Heavy Atom Count: 9
• Complexity: 38.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC[NH3+].CC(=O)[O-]

Technology Process of n-Butylammonium acetate

There total 2 articles about n-Butylammonium acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

acetic acid (64-19-7,77671-22-8) + N-butylamine (109-73-9,85404-21-3) → n-butylammonium acetate (1641-36-7)

Guidance literature:

at 0 ℃;

DOI:10.1039/c3nj00454f

Reference yield:

→ n-butylammonium acetate (1641-36-7)

Guidance literature:

n-Butylamin, Essigsaeure (Gleichgewichtskonst.);

DOI:10.1039/j29680000573

Reference yield: 93.0%

n-butylammonium acetate (1641-36-7) + acetonitrile (75-05-8,26809-02-9) → N-acetylacetamide (625-77-4)

Guidance literature:

n-butylammonium acetate; With trifluoromethylsulfonic anhydride; at 0 - 20 ℃; for 0.0833333h;

acetonitrile; at 60 ℃; for 1h;

With water; sodium hydrogencarbonate;

DOI:10.1016/j.tetlet.2012.03.121

upstream raw materials:

acetic acid

N-butylamine

Downstream raw materials:

5-Butylamino-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethyl-cyclohex-1-enyl)-deca-3,7-dienyl]-5H-furan-2-one

3-Butyl-2-(4-chloro-phenyl)-5,5,7-trimethyl-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C₂₃H₂₅NO₃

N-acetyl-4-chlorobenzamide

Refernces

• 1、 Bittencourt, Samara Storion,Hoga, Heloisa Emi,Torres, Ricardo Belchior,D’Angelo, José Vicente Hallak. "Thermodynamic properties of binary mixtures of n-butylammonium-based ionic liquids with ethanol at T = (293.15–313.15) K". . p. 1 - 21. Retrieved 2018.
• 2、 Stoimenovski, Jelena,Izgorodina, Ekaterina I.,MacFarlane, Douglas R.. "Ionicity and proton transfer in protic ionic liquids". . p. 10341 - 10347. Retrieved 2010.
• 3、 Berton, Paula,Kelley, Steven P.,Wang, Hui,Myerson, Allan S.,Rogers, Robin D.. "Separate mechanisms of ion oligomerization tune the physicochemical properties of n-butylammonium acetate: Cation-base clusters vs. Anion-acid dimers". . p. 25544 - 25554. Retrieved 2017/10/13.