3-decen-2-one
 
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IUPAC name :dec-3-en-2-one
InChI :InChI=1/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3
InChIKey :JRPDANVNRUIUAB-UHFFFAOYAS
SMILES :CCCCCCC=CC(=O)C
(EINECS) number :234-059-0
cas number :10519-33-2
fema number :3532
coe number :11751
jecfa number :1130
fl. number :07.121
molar refractivity :48.46 ± 0.3 cm3
parachor :422.2 ± 4.0 cm3
index of refraction :1.438 ± 0.02
surface tension :27.5 ± 3.0 dyne/cm
density :0.836 ± 0.06 g/cm3
polarizability :19.21 ± 0.5 10-24cm3
xlogp : 3.70
molecular weight : 154.2493200
formula :C10 H18 O
 
 
IUPAC name :(E)-dec-3-en-2-one
InChI :InChI=1/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/b9-8+
InChIKey :JRPDANVNRUIUAB-CMDGGOBGBX
SMILES :CCCCCC\C=C\C(=O)C
cas number :10519-33-2
molar refractivity :48.46 ± 0.3 cm3
parachor :422.2 ± 4.0 cm3
index of refraction :1.438 ± 0.02
surface tension :27.5 ± 3.0 dyne/cm
density :0.836 ± 0.06 g/cm3
polarizability :19.21 ± 0.5 10-24cm3
xlogp : 3.70
molecular weight : 154.2493200
formula :C10 H18 O
 
 
fda reg :172.515 h. number :unspecified
organoleptics : 
odor type :fatty
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
fatty green fruity apple earthy jasmin
taste description³ :at 1.00 - 5.00 ppm.  
Green, fruity with a fatty body, with a ketonic waxy and slight savory chicken nuance
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84000 - 0.85000 @ 25.00 °C.
pounds per gallon - calc. : 6.990 to 7.073
refractive index :1.44500 - 1.45500 @ 20.00 °C.
melting point : 16.00 - 17.00 °C. @ 760.00 mm Hg
boiling point : 125.00 - 126.00 °C. @ 760.00 mm Hg
logp : 3.22
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 197.00  °F.  TCC  ( 91.67 °C. )
  
recommendation for 3-decen-2-one usage levels up to :
  1.0000 % in the fragrance concentrate.
  
recommendation for 3-decen-2-one usage levels up to :
  5.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :234-059-0
chemidplus :10519-33-2
epa-srs :10519-33-2
  
chemidplus :010519332
epa-srs :10519-33-2
  
other : 
 
references : 
pubchem :43118782
  
pubchem :197788
NIST Chemistry WebBook :846951012
  
reference : Mosciano, Gerard P&F 25, No. 4, 71, (2000)³
synonyms :
3-decen-2-one
 enanthylidene acetone
 heptylidene acetone
 oenanthylidene acetone
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
(odor and/or flavor) used in :
 apricot
 butter
 cheese
 citrus
 cream
 cucumber
 dairy
 fruit tropical fruit
 grapefruit
 jasmin
 mandarin
 melon watermelon muskmelon cantaloupe
 orris iris
 peach
 pear
 tangerine
natural occurrence in :
mushroom



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