1.09652

n-Butyl acetate

for analysis EMSURE^®

• Synonym(s): Butyl acetate, Acetic acid n-butyl ester, Butyl ethanoate
• Linear Formula: CH₃COO(CH₂)₃CH₃
• CAS Number: 123-86-4
• Molecular Weight: 116.16
• Beilstein/REAXYS Number: 1741921
• MDL number: MFCD00009445
• UNSPSC Code: 12191502
• EC Index Number: 204-658-1
• NACRES: NA.21

Properties

• vapor density: 4 (vs air)
• Quality Level: 300
• vapor pressure: 15 mmHg ( 25 °C); 8 mmHg ( 20 °C)
• product line: EMSURE^®
• assay: ≥99.5% (GC)
• form: liquid
• autoignition temp.: 790 °F
• potency: 13100 mg/kg LD₅₀, oral (Rat); >14100 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 7.6 %
• impurities: ≤0.0017 meq/g Acidity; ≤0.1% Water; ≤0.1% n-Butyl formiate (GC); ≤0.1% n-Butyl propionate (GC); ≤0.2% n-Butyl alcohol (GC)
• evapn. residue: ≤0.001%
• color: APHA: ≤10
• refractive index: n20/D 1.394 (lit.)
• pH: 6.2 (20 °C, 5.3 g/L in H₂O, External MSDS)
• kinematic viscosity: 0.83 cSt(20 °C)
• bp: 124-126 °C (lit.)
• mp: −78 °C (lit.)
• transition temp: flash point 27 °C
• solubility: 5.3 g/L
• density: 0.88 g/mL at 25 °C (lit.)
• cation traces: Al: ≤0.00005%; B: ≤0.000002%; Ba: ≤0.00001%; Ca: ≤0.00005%; Cd: ≤0.000005%; Co: ≤0.000002%; Cr: ≤0.000002%; Cu: ≤0.000002%; Fe: ≤0.00001%; Mg: ≤0.00001%; Mn: ≤0.000002%; Ni: ≤0.000002%; Pb: ≤0.00001%; Sn: ≤0.00001%; Zn: ≤0.00001%
• SMILES string: CCCCOC(C)=O
• storage temp.: 2-30°C
• InChI: 1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
• InChI key: DKPFZGUDAPQIHT-UHFFFAOYSA-N

Description

General description

EMSURE grade solvents are suitable for a broad spectrum of classical lab applications, and are frequently used in regulated and highly demanding lab applications. EMSURE provides worldwide best and most extensive product specifications. We declare our EMSURE range to be in compliance with the ACS, with the reagent part of the European Pharmacopoeia (Reag. Ph Eur) and also with the ISO standards.

Application

• Biofiltration of n-butyl acetate with three packing material mixtures, with and without biochar: This research explores the efficiency of biofiltration systems using n-butyl acetate, emphasizing sustainable environmental management practices to mitigate solvent emissions in industrial settings (Halecký et al., 2024).


• Biphasic alcoholysis coupled with high-speed countercurrent chromatography for high performance on separating phorbol from Croton tiglium Linn extracts: Illustrates the application of n-butyl acetate in enhancing the efficiency of extraction and purification processes, critical for pharmaceutical and chemical research (Fan et al., 2023).

Analysis Note

Purity (GC): ≥ 99.5 %
Identity (IR): conforms
Color: ≤ 10 Hazen
Acidity: ≤ 0.0017 meq/g
Readily carbonizable substances: conforms
n-Butyl alcohol (GC): ≤ 0.2 %
n-Butyl formiate (GC): ≤ 0.1 %
n-Butyl propionate (GC): ≤ 0.1 %
Evaporation residue: ≤ 0.001 %
Water: ≤ 0.1 %
Al (Aluminium): ≤ 0.00005 %
B (Boron): ≤ 0.000002 %
Ba (Barium): ≤ 0.00001 %
Ca (Calcium): ≤ 0.00005 %
Cd (Cadmium): ≤ 0.000005 %
Co (Cobalt): ≤ 0.000002 %
Cr (Chromium): ≤ 0.000002 %
Cu (Copper): ≤ 0.000002 %
Fe (Iron): ≤ 0.00001 %
Mg (Magnesium): ≤ 0.00001 %
Mn (Manganese): ≤ 0.000002 %
Ni (Nickel): ≤ 0.000002 %
Pb (Lead): ≤ 0.00001 %
Sn (Tin): ≤ 0.00001 %
Zn (Zinc): ≤ 0.00001 %

Legal Information

EMSURE is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226 - H336
• pcodes: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3 - STOT SE 3
• target_organs: Central nervous system
• supp_hazards: EUH066
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 80.6 °F - closed cup
• flash_point_c: 27 °C - closed cup