2-furyl pentyl ketone
 
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IUPAC name :1-furan-2-ylhexan-1-one
InChI :InChI=1/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3
InChIKey :YUAYWSBSIJVIBS-UHFFFAOYAJ
SMILES :CCCCCC(=O)C1=CC=CO1
(EINECS) number :238-333-0
cas number :14360-50-0
fema number :3418
coe number :11180
jecfa number :1512
fl. number :13.070
molar refractivity :47.11 ± 0.3 cm3
parachor :405.5 ± 4.0 cm3
index of refraction :1.467 ± 0.02
surface tension :32.5 ± 3.0 dyne/cm
density :0.979 ± 0.06 g/cm3
polarizability :18.67 ± 0.5 10-24cm3
xlogp : 2.50
molecular weight : 166.2169600
formula :C10 H14 O2
BioActivity Analysis :87859
 
 
fda reg :unspecified h. number :2932.19.0000
organoleptics : 
odor type :fruity
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
sweet fruity ketone green apricot peach
taste description³ :at 10.00 ppm.  
Sweet, fruity, green, waxy, beany
properties : 
appearence :yellow to brown clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99200 - 0.99800 @ 25.00 °C.
pounds per gallon - calc. : 8.254 to 8.304
refractive index :1.49000 - 1.49600 @ 20.00 °C.
boiling point : 65.00 - 67.00 °C. @ 0.50 mm Hg
boiling point : 136.00 °C. @ 30.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.64
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 225.00  °F.  TCC  ( 107.22 °C. )
  
recommendation for 2-furyl pentyl ketone usage levels up to :
  4.0000 % in the fragrance concentrate.
  
recommendation for 2-furyl pentyl ketone usage levels up to :
  10.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :238-333-0
chemidplus :014360500
epa-srs :14360-50-0
dtp/nci :27361
  
other : 
 
references : 
pubchem :198127
NIST Chemistry WebBook :350297497
  
reference : Mosciano, Gerard P&F 18, No. 2, 38, (1993)³
synonyms :
 apricot ketone
1-(2-furanyl)-1-hexanone
2-furyl pentyl ketone
1-(2-furyl) hexanone
1-(2-furyl)-1-hexanone
2-hexanoyl furan
 pentyl 2-furyl ketone
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 apricot
 brandy
 coffee
 mushroom
 peach
 pineapple
 rum
natural occurrence in :
apricot
peach



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