2-Isobutyrylcyclohexanone Structure

2-Isobutyrylcyclohexanone

Chemical Properties

Melting point 38°C
Boiling point 266℃
Density  1.0076 g/mL at 25 °C
refractive index  n20/D 1.5006
Flash point 104 °C
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform, Methanol (Slightly)
form  liquid
pka 10.83±0.20(Predicted)
color  colorless
InChI InChI=1S/C10H16O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h7-8H,3-6H2,1-2H3
InChIKey PFOYYSGBGILOQZ-UHFFFAOYSA-N
SMILES C1(=O)CCCCC1C(=O)C(C)C
UNSPSC Code 12352300
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H319
Precautionary statements P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Hazard Codes  Xn
Risk Statements  22-36
Safety Statements  26
WGK Germany  3
HS Code  2914290090
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2

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2-Isobutyrylcyclohexanone Spectrum