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:
vapor pressure
1.1 hPa ( 20 °C)
Quality Level
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
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
Analysis Note
Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.860 - 0.864
Identity (IR): passes test
Density (d 20 °C/ 4 °C): 0.860 - 0.864
Identity (IR): passes test
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signalword
Warning
hcodes
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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