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2-Cyclohexylcyclohexanone

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2-Cyclohexylcyclohexanone Basic information
Product Name:2-Cyclohexylcyclohexanone
Synonyms:(1,1’-bicyclohexyl)-2-one;[1,1’-Bicyclohexyl]-2-one;[1,1'-Bicyclohexyl]-2-one;CYCLOHEXYLCYCLOHEXANONE;CYCLOHEXYLCYCLOHEXANONE, 2-;1,1'-Bicyclohexan-2-one;Nsc22249;2-cyclohexyl-cyclohexanon
CAS:90-42-6
MF:C12H20O
MW:180.29
EINECS:201-991-4
Product Categories:
Mol File:90-42-6.mol
2-Cyclohexylcyclohexanone Structure
2-Cyclohexylcyclohexanone Chemical Properties
Melting point -32°C
Boiling point 269 °C
density 0,97 g/cm3
refractive index 1.4880-1.4900
Fp 121°C
storage temp. Inert atmosphere,Room Temperature
form clear liquid
color A colourless liquid with a comparatively sweet odour
Odorat 100.00 %. cyclamen sweet herbal cumin mint woody orris ozone
Odor Typeherbal
Cosmetics Ingredients FunctionsPERFUMING
InChI1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2
InChIKeyUOBQDYFTAJKQAL-UHFFFAOYSA-N
SMILESO=C1CCCCC1C2CCCCC2
LogP3.810
CAS DataBase Reference90-42-6(CAS DataBase Reference)
EPA Substance Registry System[1,1'-Bicyclohexyl]-2-one (90-42-6)
Safety Information
Safety Statements 22-24/25
WGK Germany WGK 2
RTECS DT7400000
TSCA TSCA listed
HS Code 2914290090
Storage Class10 - Combustible liquids
Hazardous Substances Data90-42-6(Hazardous Substances Data)
toxicityThe acute oral LD50 was reported as > 5 g/kg in the rat (Denine, 1973). The acute dermal LD50 was reported as > 5 g/kg in the rabbit (Denine, 1973).
MSDS Information
ProviderLanguage
ALFA English
2-Cyclohexylcyclohexanone Usage And Synthesis
Chemical PropertiesMinty, somewhat dry taste. Slightly bitter in higher concentrations but bitterness is less pronounced in compositions with other flavoring materials or at lower concentration.
OccurrenceApparently has not been reported to occur in nature.
PreparationBy self-condensation of cyclohexanone followed by reduction.
2-Cyclohexylcyclohexanone Preparation Products And Raw materials
Raw materials2-Cyclohexylcyclohexanol-->Cyclohexanol-->Cyclohexanone
Preparation ProductsDibenzofuran, 1,2,3,4-tetrahydro--->Dodecahydrodibenzofuran (mixture of isomers)-->Bicyclohexyl
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