SMILES string
O=C(CC(CC)C)CC
InChI
1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
InChI key
PSBKJPTZCVYXSD-UHFFFAOYSA-N
vapor pressure
2.7 hPa ( 25 °C)
assay
≥94.0% (GC)
form
liquid
potency
3500 mg/kg LD50, oral (Rat), >16000 mg/kg LD50, skin (Rabbit)
expl. lim.
0.9-48 % (v/v)
bp
157-162 °C/1013 hPa
mp
-57 °C
transition temp
flash point 43 °C
solubility
3 g/L
density
0.82 g/cm3 at 20 °C
storage temp.
2-30°C
Quality Level
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Analysis Note
Assay (GC, area%): ≥ 94.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.820 - 0.823
Identity (IR): passes test
Density (d 20 °C/ 4 °C): 0.820 - 0.823
Identity (IR): passes test
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - STOT SE 3
target_organs
Respiratory system
存储类别
3 - Flammable liquids
wgk
WGK 1
flash_point_f
111.2 °F - closed cup
flash_point_c
44 °C - closed cup
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