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Merck
CN

1.01974

n-Butyl acetate

EMPLURA®

Synonym(s):

Butyl acetate, Acetic acid n-butyl ester, Butyl ethanoate

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About This Item

Linear Formula:
CH3COO(CH2)3CH3
CAS Number:
Molecular Weight:
116.16
UNSPSC Code:
12191502
NACRES:
NA.21
EC Index Number:
204-658-1
MDL number:
Beilstein/REAXYS Number:
1741921
Assay:
≥99% (GC)
Bp:
124-126 °C (lit.)
Vapor pressure:
15 mmHg ( 25 °C), 8 mmHg ( 20 °C)
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vapor density

4 (vs air)

Quality Segment

vapor pressure

15 mmHg ( 25 °C), 8 mmHg ( 20 °C)

product line

EMPLURA®

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 %

dilution

(low-cost alternative, for basic applications)

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

Application


  • Exposure to Volatile Organic Compounds in Paint Production Plants: Levels and Potential Human Health Risks.: This research assesses the levels of volatile organic compounds, including n-butyl acetate, in paint production environments and discusses the associated health risks, emphasizing the need for effective exposure control strategies (Ghobakhloo et al., 2023).

  • Application of On-Line Sorbentless Cryogenic Needle Trap Extraction Coupled with GC-FID for Analysis of Some Organic Volatile Impurities in Solid Pharmaceuticals.: Research on the application of cryogenic needle trap extraction with gas chromatography for analyzing volatile impurities, including n-butyl acetate, in pharmaceutical products, demonstrating a novel approach to chemical analysis (Djozan et al., 2022).

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


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pictograms

FlameExclamation mark

signalword

Warning

hcodes

Hazard Classifications

Flam. Liq. 3 - STOT SE 3

target_organs

Central nervous system

supp_hazards

Storage Class

3 - Flammable liquids

flash_point_f

80.6 °F - closed cup

flash_point_c

27 °C - closed cup



Certificates of Analysis (COA)

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