ethyl (E)-2-decenoate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :ethyl dec-2-enoate
InChI :InChI=1/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3
InChIKey :GNJARWZWODMTDR-UHFFFAOYAR
SMILES :CCCCCCCC=CC(=O)OCC
(EINECS) number :253-524-9
cas number :37486-72-9
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 : 4.80
molecular weight : 198.3018800
formula :C12 H22 O2
 
 
IUPAC name :ethyl (E)-dec-2-enoate
InChI :InChI=1/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3/b11-10+
InChIKey :GNJARWZWODMTDR-ZHACJKMWBH
SMILES :CCCCCCC\C=C\C(=O)OCC
(EINECS) number :230-918-9
cas number :7367-88-6
fema number :3641
coe number :10577
fl. number :09.283
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 : 4.80
molecular weight : 198.3018800
formula :C12 H22 O2
 
 
IUPAC name :ethyl (Z)-dec-2-enoate
InChI :InChI=1/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3/b11-10-
InChIKey :GNJARWZWODMTDR-KHPPLWFEBL
SMILES :CCCCCCC\C=C/C(=O)OCC
cas number :7367-88-6
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 : 4.80
molecular weight : 198.3018800
formula :C12 H22 O2
 
 
fda reg :unspecified h. number :2916.19.6000
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
green apple pear fruity waxy
taste description³ :at 10.00 ppm.  
Pear, apple, green with waxy fruity nuances
properties : 
appearence :colorless clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88000 - 0.88800 @ 25.00 °C.
pounds per gallon - calc. : 7.322 to 7.389
refractive index :1.44200 - 1.45000 @ 20.00 °C.
boiling point : 133.00 - 135.00 °C. @ 20.00 mm Hg
boiling point : 140.00 °C. @ 30.00 mm Hg
logp : 5.04
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 195.00  °F.  TCC  ( 90.56 °C. )
  
recommendation for ethyl (E)-2-decenoate usage levels up to :
  4.0000 % in the fragrance concentrate.
  
recommendation for ethyl (E)-2-decenoate usage levels up to :
  10.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :253-524-9
chemidplus :037486729
epa-srs :37486-72-9
  
(EINECS) number :230-918-9
chemidplus :007367886
epa-srs :7367-88-6
  
chemidplus :7367-88-6
epa-srs :7367-88-6
  
other : 
 
references : 
pubchem :3739983
  
pubchem :204147
  
pubchem :40519923
  
reference : Mosciano, Gerard P&F 15, No. 4, 59, (1990)³
synonyms :
(2E)-2-decenoic acid ethyl ester
(E)-2-decenoic acid ethyl ester
 ethyl (E)-2-decenoate
 ethyl croronate
 ethyl trans-2-decenoate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 apple
 banana
 citrus
 guava
 mango
 orange
 pear
natural occurrence in :
apple
brandy pear brandy
cocoa
grape
papaya
passion fruit
pear
strawberry
wine white wine



information only - not sold by The Good Scents Company.



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2008 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 06/12/2008