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
cas number :14360-50-0
(EINECS) number :238-333-0
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 (IUPAC)
formula :C10 H14 O2
BioActivity Analysis :87859
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :unspecified
Suppliers :
Cargill :PENTYL-2-FURYL-KETONE
Kosher
Endeavour :1-(2-Furyl)hexan-1-one
97%
Penta :pentyl 2-furyl ketone
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
odor description:
Sweet, fruity, ketonic, green
Mosciano, Gerard P&F 18, No. 2, 38, (1993)
taste description:
at 10.00 ppm.  		Sweet, fruity, green, waxy, beany
Mosciano, Gerard P&F 18, No. 2, 38, (1993)
properties :
appearence :yellow to brown clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99200 to 0.99800 @ 25.00 °C.
pounds per gallon - calc. : 8.254 to 8.304
refractive index :1.49000 to 1.49600 @ 20.00 °C.
boiling point : 65.00 to 67.00 °C. @ 0.50 mm Hg
boiling point : 136.00 °C. @ 30.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 225.00  °F.  TCC  ( 107.22 °C. )
logP (o/w) : 2.64
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
 
recommendation for 2-furyl pentyl ketone fragrance usage levels up to :
 not for fragrance use.
recommendation for 2-furyl pentyl ketone flavor usage levels up to :
  10.0000 ppm in the flavor.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
1-furan-2-ylhexan-1-one
(EINECS) number :238-333-0
chemidplus :014360500
EPA Substance Registry Services :14360-50-0
dtp/nci :27361
references :
 
1-furan-2-ylhexan-1-one
fl. number :13.070
jecfa number :1512
NIST Chemistry WebBook :350297497
pubchem :198127
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 apricot ketone
1-furan-2-ylhexan-1-one
1-(2-furanyl)-1-hexanone
1-(2-furyl) hexanone
1-(2-furyl)-1-hexanone
2-hexanoyl furan
 pentyl 2-furyl ketone
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
alpha-amyl cinnamaldehyde diethyl acetalFR
 amyl isobutyrateFL/FR
isoamyl laurateFL/FR
para-anisyl propionateFL/FR
 buchu mercaptanFL/FR
para-cresyl isobutyrateFL/FR
beta-cyclocitralFL/FR
2-ethyl-4-butanolFL/FR
 grapefruit menthaneFL/FR
 heptyl propionateFR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
2-hexen-1-yl acetateFL/FR
 jasmin pyranoneFL/FR
 methyl 4-pentenoateFL
2-methyl valeraldehydeFL
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL
 phenethyl heptanoateFL/FR
4-phenyl-2-butyl acetateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 woody acetateFR
potential uses :
 apricot
 brandy
 coffee
 mushroom
 peach
 pineapple
 rum
natural occurrence in :    note
 apricot S
 peach  

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