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1.01974

Supelco

n-Butyl acetate

EMPLURA®

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

Quality Level

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

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

Pictograms

FlameExclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Flam. Liq. 3 - STOT SE 3

Target Organs

Central nervous system

Supplementary Hazards

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

80.6 °F - closed cup

Flash Point(C)

27 °C - closed cup

Certificate of Analysis

Certificate of Origin

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