1.01974

n-Butyl acetate

EMPLURA^®

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

Properties

• Quality Level: 200
• vapor density: 4 (vs air)
• vapor pressure: 15 mmHg ( 25 °C); 8 mmHg ( 20 °C)
• assay: ≥99% (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: ≤0.02% Free acid (as CH₃COOH); ≤1% n-Butyl alcohol (GC)
• evapn. residue: ≤0.0010%
• 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
• density: 0.88 g/mL at 25 °C (lit.)
• storage temp.: 2-30°C
• SMILES string: CCCCOC(C)=O
• InChI: 1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
• InChI key: DKPFZGUDAPQIHT-UHFFFAOYSA-N

Description

Analysis Note

Purity (GC): ≥ 99.0 %
Identity (IR): conforms
Free acid (as CH₃COOH): ≤ 0.02 %
Density (d 20 °C/ 4 °C): 0.879 - 0.881
Density (d 20 °C/20 °C): 0.881 - 0.883
n-Butyl alcohol (GC): ≤ 1 %
Evaporation residue: ≤ 0.0010 %

Legal Information

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

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226 - H336
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3 - STOT SE 3
• Target Organs: Central nervous system
• Supplementary Hazards: EUH066
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 80.6 °F - closed cup
• Flash Point(C): 27 °C - closed cup