ethyl decanoate
 
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IUPAC name :ethyl decanoate
InChI :InChI=1/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
InChIKey :RGXWDWUGBIJHDO-UHFFFAOYAS
SMILES :CCCCCCCCCC(=O)OCC
(EINECS) number :203-761-9
cas number :110-38-3
beilstein number :1762128
fema number :2432
coe number :309
jecfa number :35
fl. number :09.059
molar refractivity :59.41 ± 0.3 cm3
parachor :534.3 ± 4.0 cm3
index of refraction :1.429 ± 0.02
surface tension :29.0 ± 3.0 dyne/cm
density :0.870 ± 0.06 g/cm3
polarizability :23.55 ± 0.5 10-24cm3
xlogp : 4.90
molecular weight : 200.3177600
formula :C12 H24 O2
BioActivity Analysis :74523
 
 
fda reg :172.515 h. number :2915.90.0000
organoleptics : 
odor type :waxy
odor strength :medium
odor description :
at 100.00 %.  
sweet waxy fruity apple grape oily brandy
taste description³ :at 20.00 ppm.  
Waxy, fruity, sweet apple
substantivity :44  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.86300 - 0.86800 @ 25.00 °C.
pounds per gallon - calc. : 7.181 to 7.223
refractive index :1.42400 - 1.42700 @ 20.00 °C.
melting point : -20.00 °C. @ 760.00 mm Hg
boiling point : 241.00 - 245.00 °C. @ 760.00 mm Hg
boiling point : 118.00 - 121.00 °C. @ 15.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 4.96
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 216.00  °F.  TCC  ( 102.22 °C. )
  
recommendation for ethyl decanoate usage levels up to :
  4.0000 % in the fragrance concentrate.
  
recommendation for ethyl decanoate usage levels up to :
  25.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :203-761-9
rtecs :HD9420000 for 110-38-3
chemidplus :000110383
epa-srs :110-38-3
dtp/nci :8909
  
other : 
 
references : 
pubchem :151166
NIST Chemistry WebBook :4200528020
  
reference : Mosciano, Gerard P&F 15, No. 3, 51, (1990)³
synonyms :
 capric acid ethyl ester
 decanoic acid ethyl ester
 ethyl caprate
 ethyl caprinate
 ethyl decanoate
 ethyl decylate
soluble in :
 alcohol
 fixed oils
 water, 16 mg/L @ 25C
insoluble in :
 glycerin
 propylene glycol
(odor and/or flavor) used in :
 apple
 beer
 brandy
 butter
 butterscotch
 cognac
 cream
 floral
 grape
 melon watermelon muskmelon cantaloupe
 nut
 orange
 pineapple
 plum
 rum
natural occurrence in :
apple juice
banana
beer
data pageboronia absolute @ 0.01%
butter
caninha
cheese cheddar cheese
cherry
citrus fruits
cocoa
grape
data pagemastic fruit oil @ 0.05%
data pagemastic leaf oil @ 0.06%
melon
data pageosmanthus absolute @ 0.03%
pear
data pagepetitgrain mandarin oil @ trace%
pineapple
data pagestar fruit oil cuba @ 1.90%
strawberry
tea
data pagevassoura oil @ 0.20%



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