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Dicyclohexyl ketone

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Name

Dicyclohexyl ketone

EINECS N/A
CAS No. 119-60-8 Density 0.97g/cm3
PSA 17.07000 LogP 3.71610
Solubility N/A Melting Point 57°C
Formula C13H22 O Boiling Point 266.4°Cat760mmHg
Molecular Weight 194.317 Flash Point 123.4°C
Transport Information N/A Appearance N/A
Safety Poison by intravenous route. See also KETONES. A flammable liquid. When heated to decomposition it emits acrid and irritating fumes. Risk Codes N/A
Molecular Structure Molecular Structure of 119-60-8 (DICYCLOHEXYL KETONE) Hazard Symbols N/A
Synonyms

Cyclohexylketone (7CI,8CI); Bicyclohexyl ketone; Dicyclohexyl ketone;Dicyclohexylmethanone; NSC 49725; NSC 60007

Article Data 71

Dicyclohexyl ketone Synthetic route

4453-82-1

Dicyclohexylmethanol

119-60-8

dicyclohexyl ketone

Conditions
ConditionsYield
With 6C6H15P*4CF3O3S(1-)*2Ru(2+); acetone In 2,2,2-trifluoroethanol at 20℃; for 3h; Reagent/catalyst;99%
With tetra-O-acetyl riboflavin; lithium trifluoromethanesulfonate; 1,3-diisopropylthiourea In water; acetonitrile at 22℃; for 24h; Inert atmosphere; Sealed tube; Irradiation;90%
With isobutyl 4-[bis(acetoxy)iodo]phenylsulfonate; ruthenium trichloride In water; acetonitrile at 20℃; for 8h;89%
2719-27-9

cyclohexanylcarbonyl chloride

446065-11-8

cyclohexyltrifluoro-λ4-borane potassium salt

119-60-8

dicyclohexyl ketone

Conditions
ConditionsYield
With potassium fluoride; (1,2-dimethoxyethane)dichloronickel(II); Ir(dF(CF3)ppy)2(bpy)PF6; 4,4'-di-tert-butyl-2,2'-bipyridine In 1,2-dimethoxyethane at 24℃; for 24h; Inert atmosphere; Sealed tube; Irradiation;84%
1088-01-3

tricyclohexylborane

14572-78-2

lithium tris(phenylthio)methanide

119-60-8

dicyclohexyl ketone

Conditions
ConditionsYield
With sodium hydroxide; dihydrogen peroxide Ambient temperature;80%
6316-03-6

dicyclohexyl ketone oxime

119-60-8

dicyclohexyl ketone

Conditions
ConditionsYield
With tetraethyl ammonium permanganate at 20℃; for 0.666667h;80%
4453-82-1

Dicyclohexylmethanol

A

119-60-8

dicyclohexyl ketone

B

cyclohexanone

cyclohexanone

Conditions
ConditionsYield
With air; sodium nitrite In trifluoroacetic acid at 0 - 20℃; for 5h;A 79%
B n/a
626-62-0

1-iodocyclohexane

541-41-3

chloroformic acid ethyl ester

119-60-8

dicyclohexyl ketone

Conditions
ConditionsYield
With [2,2]bipyridinyl; chloro-trimethyl-silane; nickel(II) bromide 2-methoxyethyl ether complex; zinc In tetrahydrofuran; N,N-dimethyl acetamide at 40℃; for 2h; Sealed tube; Inert atmosphere;76%
95110-49-9

2'-cyclohexyl-2'-phenylsulfinylspiro

119-60-8

dicyclohexyl ketone

Conditions
ConditionsYield
With sodium phenylselenide In ethanol for 16h; Heating;75%
With sodium phenylselenide In ethanol for 16h; Heating;75%
530-62-1

1,1'-carbonyldiimidazole

931-50-0

cyclohexylmagnesium bromide

119-60-8

dicyclohexyl ketone

Conditions
ConditionsYield
In tetrahydrofuran at -80 - 20℃; Inert atmosphere;75%
91-01-0

1,1-Diphenylmethanol

A

119-60-8

dicyclohexyl ketone

B

4453-82-1

Dicyclohexylmethanol

C

945-49-3

cyclohexylphenylmethanol

Conditions
ConditionsYield
With hydrogen In water at 50℃; under 15001.5 Torr; for 6h; chemoselective reaction;A 7 %Spectr.
B 75%
C 17%
52034-92-1

dicyclohexylacetic acid

119-60-8

dicyclohexyl ketone

Conditions
ConditionsYield
With (2,2'-dipyridyl)bis(5-methyl-2-(4-fluoro)phenylpyridine-N,C)iridium(III) hexafluorophosphate; oxygen; sodium carbonate; 1,1'-diethyl-4,4'-bipyridinium diperchlorate In dimethyl sulfoxide at 20℃; under 760.051 Torr; for 16h; Irradiation;65%

Dicyclohexyl ketone Chemical Properties

Empirical Formula: C13H22O
Molecular Weight: 194.3132 g/mol
EINECS: 204-336-0 
Index of Refraction: 1.49
Density: 0.97 g/cm3
Flash Point: 123.4 °C
Enthalpy of Vaporization: 50.43 kJ/mol
Boiling Point: 266.4 °C at 760 mmHg
Vapour Pressure: 0.00868 mmHg at 25 °C 
Structure of Dicyclohexyl ketone (CAS NO.119-60-8):
                   
IUPAC Name of Dicyclohexyl ketone (CAS NO.119-60-8): Dicyclohexylmethanone
Canonical SMILES: C1CCC(CC1)C(=O)C2CCCCC2
InChI: InChI=1S/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey: TWXWPPKDQOWNSX-UHFFFAOYSA-N
Product Categories of Dicyclohexyl ketone (CAS NO.119-60-8): Carbonyl Compounds;Ketones

Dicyclohexyl ketone Toxicity Data With Reference

1.    

ivn-mus LD50:56 mg/kg

    CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#06751 .

Dicyclohexyl ketone Consensus Reports

Reported in EPA TSCA Inventory.

Dicyclohexyl ketone Safety Profile

Poison by intravenous route. See also KETONES. A flammable liquid. When heated to decomposition it emits acrid and irritating fumes.
Safety Statements: 23-24/25 
S23:Do not breathe vapour. 
S24/25:Avoid contact with skin and eyes.

Dicyclohexyl ketone Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Dicyclohexyl ketone Specification

 Dicyclohexyl ketone ,its cas register number is 119-60-8. It also can be called Methanone, dicyclohexyl- ; Dicyclohexylmethanone ; Ketone, dicyclohexyl ;and Cyclohexyl ketone .

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