ethyl (E)-4-decenoate
 
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IUPAC name :ethyl (E)-dec-4-enoate
InChI :InChI=1/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+
InChIKey :AWNIQMQADACLCJ-CMDGGOBGBM
SMILES :CCCCC\C=C\CCC(=O)OCC
(EINECS) number :278-509-4
cas number :76649-16-6
fema number :3642
coe number :10578
jecfa number :341
fl. number :09.284
molar refractivity :59.47 ± 0.3 cm3
parachor :521.5 ± 4.0 cm3
index of refraction :1.444 ± 0.02
surface tension :29.5 ± 3.0 dyne/cm
density :0.886 ± 0.06 g/cm3
polarizability :23.57 ± 0.5 10-24cm3
xlogp : 4.40
molecular weight : 198.3018800
formula :C12 H22 O2
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :green
odor strength :medium
odor description :
at 100.00 %.  
green fruity waxy oily pineapple apple
taste description³ :at 10.00 ppm.  
Fatty, waxy, green, pineapple and pear nuances
substantivity :8  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87100 - 0.88100 @ 25.00 °C.
pounds per gallon - calc. : 7.248 to 7.331
refractive index :1.43200 - 1.44200 @ 20.00 °C.
boiling point : 72.00 °C. @ 0.10 mm Hg
logp : 4.63
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI) :1.80 (μg/capita/day)
  
flash point ( Deg. F. ) : 230.00  °F.  TCC  ( 110.00 °C. )
  
recommendation for ethyl (E)-4-decenoate usage levels up to :
  4.0000 % in the fragrance concentrate.
  
recommendation for ethyl (E)-4-decenoate usage levels up to :
  10.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :278-509-4
chemidplus :076649166
epa-srs :76649-16-6
  
other : 
 
references : 
pubchem :199531
NIST Chemistry WebBook :3224585170
  
reference : Mosciano, Gerard P&F 20, No. 1, 31, (1995)³
synonyms :
(4E)-4-decenoic acid ethyl ester
(E)-4-decenoic acid ethyl ester
 ethyl (E)-4-decenoate
 ethyl trans-4-decenoate
 pear decenoate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 apple
 fruit
 leather
 pear
 pineapple
 waxy
natural occurrence in :
beer



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