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Merck

8.14724

Isoamyl butyrate

for synthesis

Synonym(s):

Isoamyl butyrate, Butyric acid (3-methylbutyl ester)

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About This Item

Linear Formula:
CH3CH2CH2COOCH2CH2CH(CH3)2
CAS Number:
Molecular Weight:
158.24
UNSPSC Code:
12352108
EC Index Number:
203-380-8
NACRES:
NA.22
MDL number:
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Product Name

Isoamyl butyrate, for synthesis

SMILES string

O(CCC(C)C)C(=O)CCC

InChI

1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3

InChI key

PQLMXFQTAMDXIZ-UHFFFAOYSA-N

vapor pressure

1.1 hPa ( 20 °C)

assay

≥98.0% (GC)

form

liquid

potency

>5000 mg/kg LD50, oral (Rat)
>5000 mg/kg LD50, skin (Rabbit)

mp

-73 °C

transition temp

flash point 59 °C

solubility

0.5 g/L

density

0.88 g/cm3 at 20 °C

storage temp.

2-30°C

Quality Level

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.860 - 0.864
Identity (IR): passes test

pictograms

Flame

signalword

Warning

Hazard Classifications

Aquatic Chronic 3 - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

138.2 °F

flash_point_c

59 °C


Certificates of Analysis (COA)

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