2-cyclohexyl cyclohexanone
 
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IUPAC name :2-cyclohexylcyclohexan-1-one
InChI :InChI=1/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2
InChIKey : UOBQDYFTAJKQAL-UHFFFAOYAT
SMILES :C1CCC(CC1)C2CCCCC2=O
(EINECS) number :201-991-4
cas number :90-42-6
beilstein number :1865785
molar refractivity :53.51 ± 0.3 cm3
parachor :452.7 ± 6.0 cm3
index of refraction :1.496 ± 0.02
surface tension :37.4 ± 3.0 dyne/cm
density :0.984 ± 0.06 g/cm3
polarizability :21.21 ± 0.5 10-24cm3
xlogp : 3.70
molecular weight : 180.2866000
formula :C12 H20 O
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :herbal
odor strength :medium
odor description :
at 100.00 %.  
cyclamen sweet herbal cumin mint woody orris ozone
substantivity :44  Hour(s)
properties : 
appearence :colorless to pale yellow clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97100 - 0.97700 @ 25.00 °C.
pounds per gallon - calc. : 8.080 to 8.130
refractive index :1.48500 - 1.49000 @ 20.00 °C.
boiling point : 264.00 - 265.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
logp : 3.81
safety : 
Oral Toxicity(LD50) : Oral-Rat    5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >7800.00  mg/kg    
  
flash point ( Deg. F. ) :> 200.00  °F.  TCC  ( > 93.33 °C. )
  
recommendation for 2-cyclohexyl cyclohexanone usage levels up to :
 not for fragrance use.
  
recommendation for 2-cyclohexyl cyclohexanone usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :201-991-4
chemidplus :000090426
epa-srs :90-42-6
dtp/nci :22249
  
other : 
 
references : 
pubchem :150036
NIST Chemistry WebBook :3651415600
  
synonyms :
 bicyclohexanone p
(1,1'-bicyclohexyl)-2-one
2-cyclohexyl cyclohexan-1-one
2-cyclohexyl cyclohexanone
 lavamenthe
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 clean
 floral
 herbal
 lily
 orris iris
 ozone
 woody
natural occurrence in :
not found in nature



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