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Key Documents

8.14190

Sigma-Aldrich

Methyl isobutyrylacetate

for synthesis

Synonym(s):

Methyl isobutyrylacetate, Isobutyrylacetic acid methyl ester, Methyl 4-methyl-3-oxopentanoate

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50 ML
$107.00

$107.00


Estimated to ship onApril 12, 2025



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50 ML
$107.00

About This Item

Linear Formula:
CH3CH(CH3)COCH2COOCH3
CAS Number:
Molecular Weight:
144.17
MDL number:
UNSPSC Code:
12352108
EC Index Number:
418-900-0
NACRES:
NA.22

$107.00


Estimated to ship onApril 12, 2025


vapor pressure

1.3 hPa ( 20 °C)

Quality Level

assay

≥96.0% (GC)

autoignition temp.

280 °C

potency

>2000 mg/kg LD50, oral (Rat)

expl. lim.

1.29 % (v/v)

pH

4.8 (20 °C, 10 g/L in H2O)

bp

192 °C/1013 hPa

mp

-75 °C

transition temp

flash point 79 °C

solubility

43.6 g/L

density

1.01 g/cm3 at 20 °C

storage temp.

2-30°C

SMILES string

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

InChI

1S/C7H12O3/c1-5(2)6(8)4-7(9)10-3/h5H,4H2,1-3H3

InChI key

HNNFDXWDCFCVDM-UHFFFAOYSA-N

Analysis Note

Assay (GC, area%): ≥ 96.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.009 - 1.011
Identity (IR): passes test

Storage Class

10 - Combustible liquids

wgk_germany

WGK 1

flash_point_f

174.2 °F - closed cup

flash_point_c

79 °C - closed cup


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