methyl 2,4-decadienoate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :methyl (2E,4Z)-deca-2,4-dienoate
InChI :InChI=1/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7-,10-9+
InChIKey :SFHSEXGIVSBRRK-UQGDGPGGBP
SMILES :CCCCC\C=C/C=C/C(=O)OC
(EINECS) number :224-787-7
cas number :4493-42-9
beilstein number :1723201
fema number :3859
jecfa number :1191
fl. number :09.639
molar refractivity :54.90 ± 0.3 cm3
parachor :468.9 ± 4.0 cm3
index of refraction :1.459 ± 0.02
surface tension :29.7 ± 3.0 dyne/cm
density :0.907 ± 0.06 g/cm3
polarizability :21.76 ± 0.5 10-24cm3
xlogp : 3.90
molecular weight : 182.2594200
formula :C11 H18 O2
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
fruity waxy pear
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.91100 - 0.91800 @ 25.00 °C.
pounds per gallon - calc. : 7.580 to 7.639
refractive index :1.48600 - 1.49400 @ 20.00 °C.
boiling point : 105.00 °C. @ 2.00 mm Hg
boiling point : 246.00 - 247.00 °C. @ 760.00 mm Hg
logp : 3.99
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 230.00  °F.  TCC  ( 110.00 °C. )
  
recommendation for methyl 2,4-decadienoate usage levels up to :
  3.0000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :224-787-7
chemidplus :004493429
epa-srs :4493-42-9
  
other : 
 
references : 
jecfa number :1191
fl. number :09.639
pubchem :655288
  
synonyms :
 methyl (2E,4Z)-2,4-decadienoate
 methyl 2,4-decadienoate
 methyl trans-2,cis-4-decadienoate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl heptanoate
isoamyl isobutyrate
 decyl butyrate
 ethyl (E)-2-decenoate
 ethyl (E)-4-decenoate
 ethyl (E)-4-octenoate
(E)-geranyl acetone
 geranyl hexanoate
3-hexanone
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl propionate
 hexyl propionate
 jasmin absolute
 melon octenoate
3-mercaptohexyl acetate
 methyl nonanoate
 musk propanoate
(E,Z)-3,6-nonadien-1-yl acetate
3,6-nonadien-1-yl acetate
(E)-2-nonen-1-yl acetate
(Z)-3-octen-1-yl propionate
 pear notes
(E)-2-tridecen-1-yl acetate
(odor and/or flavor) used in :
 fruit
 pear
 waxy
natural occurrence in :
found in nature



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Html Last modified 08/14/2008