2-Acetylcyclohexanone
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2-Acetylcyclohexanone
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CAS No:
874-23-7
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Formula:
C8H12O2
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Chemical Name:
2-Acetylcyclohexanone
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Synonyms:
Cyclohexanone,2-acetyl-;2-Acetylcyclohexanone;α-Acetylcyclohexanone;2-Acetyl-1-cyclohexanone;NSC 7713;125117-37-5
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CAS No:
2-Acetylcyclohexanone Basic Attributes
140.18
140.18
1858621
212-858-5
7713
DTXSID0049365
2914299000
Characteristics
34.1
0.9
Clear colorless to light yellow Liquid
1.075 g/cm3 @ Temp: 0 °C
112-116 °C
111-112 °C @ Press: 18 Torr
175 °F
1.464
Not miscible in water.
Store below +30°C.
2-Acetylcyclohexanone Use and Manufacturing
2-Acetylcyclohexanone is used in the synthesis of 1-(pyridyl)ethanol derivatives that can reduce keto-esters and ketones. Also used in the synthesis of phenothiazine derivatives that can inhibit protein farnesyltransferase molecules and some that show anti-proliferative activity.
Cyclohexanone, 2-acetyl-: ACTIVE
Computed Properties
Molecular Weight:140.18
XLogP3:0.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:140.083729621
Monoisotopic Mass:140.083729621
Topological Polar Surface Area:34.1
Heavy Atom Count:10
Complexity:161
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
