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Merck

8.20557

Isobutyl acetate

for synthesis

Synonym(s):

Isobutyl acetate, Acetic acid isobutyl ester

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About This Item

Linear Formula:
CH3COOCH2CH(CH3)2
CAS Number:
Molecular Weight:
116.16
UNSPSC Code:
12352108
EC Index Number:
203-745-1
NACRES:
NA.22
MDL number:
Assay:
≥98% (GC)
Grade:
synthesis grade
Bp:
116-118 °C/1013 hPa
Vapor pressure:
17 hPa ( 20 °C)
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grade

synthesis grade

Quality Level

vapor pressure

17 hPa ( 20 °C)

assay

≥98% (GC)

form

liquid

autoignition temp.

510 °C

potency

13400 mg/kg LD50, oral (Rat), >17400 mg/kg LD50, skin (Rabbit)

expl. lim.

2.4-10.5 % (v/v)

dilution

(for synthesis)

pH

5 (20 °C, 4 g/L in H2O)

bp

116-118 °C/1013 hPa

mp

-99 °C

transition temp

flash point 18 °C

solubility

7 g/L

density

0.87 g/cm3 at 20 °C

storage temp.

2-30°C

SMILES string

O(CC(C)C)C(=O)C

InChI

1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3

InChI key

GJRQTCIYDGXPES-UHFFFAOYSA-N

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.870 - 0.872
Identity (IR): passes test


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pictograms

FlameExclamation mark

signalword

Danger

Hazard Classifications

Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

71.6 °F - Pensky-Martens closed cup

flash_point_c

22 °C - Pensky-Martens closed cup



Certificates of Analysis (COA)

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