ethyl (E,Z)-2,4-decadienoate
 
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IUPAC name :ethyl (2E,4Z)-deca-2,4-dienoate
InChI :InChI=1/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+
InChIKey : OPCRGEVPIBLWAY-QNRZBPGKBN
SMILES :CCCCC\C=C/C=C/C(=O)OCC
(EINECS) number :221-178-8
cas number :3025-30-7
beilstein number :1724176
fema number :3148
coe number :10574
jecfa number :1192
fl. number :09.260
molar refractivity :59.53 ± 0.3 cm3
parachor :508.7 ± 4.0 cm3
index of refraction :1.460 ± 0.02
surface tension :30.0 ± 3.0 dyne/cm
density :0.903 ± 0.06 g/cm3
polarizability :23.60 ± 0.5 10-24cm3
xlogp : 4.30
molecular weight : 196.2860000
formula :C12 H20 O2
 
 
fda reg :unspecified h. number :2916.19.4000
organoleptics : 
odor type :green
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
green waxy pear apple sweet fruity tropical
taste description³ :at 5.00 ppm.  
Green, waxy, vegetative, pear and melon with a tropical nuance
properties : 
appearence :colorless clear liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.90000 - 0.90800 @ 25.00 °C.
pounds per gallon - calc. : 7.489 to 7.555
boiling point : 70.00 - 72.00 °C. @ 0.05 mm Hg
boiling point : 120.00 °C. @ 7.00 mm Hg
logp : 4.52
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg  FCTOD7  26,317,88
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg  FCTOD7  26,317,88
  
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
  
recommendation for ethyl (E,Z)-2,4-decadienoate usage levels up to :
  8.0000 % in the fragrance concentrate.
  
recommendation for ethyl (E,Z)-2,4-decadienoate usage levels up to :
  10.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :221-178-8
rtecs :HD3510900 for 3025-30-7
chemidplus :003025307
epa-srs :3025-30-7
  
other : 
 
references : 
pubchem :203899
  
reference : Mosciano, Gerard P&F 23, No. 3, 55, (1998)³
synonyms :
trans,cis-deca-2,4-dienoic acid ethyl ester
(E,Z)-2,4-decadienoic acid ethyl ester
 ethyl (2E,4Z)-2,4-decadienoate
 ethyl (E-2,Z-4)-decadienoate
 ethyl (E,Z)-2,4-decadienoate
 ethyl 2,4-decadienoate
 ethyl decadienoate
 ethyl trans-2,cis-4-decadienoate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetoin
2-acetyl furan
 allyl amyl glycolate
 allyl cyclohexyl propionate
 almond oil
isoamyl acetate
isoamyl butyrate
alpha-amyl cinnamaldehyde
isoamyl isovalerate
isoamyl salicylate
 amyris wood oil
para-anisyl acetate
para-anisyl alcohol
 beeswax absolute
 benzaldehyde
 benzyl acetate
 benzyl alcohol
 benzyl benzoate
 benzyl cinnamate
 benzyl isobutyrate
 benzyl propionate
 benzyl salicylate
 bergamot oil
 blood orange oil
 bois de rose oil
 caramel furanone
 caraway seed oil
 carrot seed oil
 cinnamyl alcohol
 citral
 citronellol
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
gamma-decalactone
 decanal
 diethyl malonate
 dihydromyrcenol
 dimethyl anthranilate
 dimethyl benzyl carbinyl butyrate
 ethyl acetoacetate
 ethyl butyrate
 ethyl cinnamate
 ethyl heptanoate
 ethyl maltol
 ethyl vanillin
 floral pyranol
 gardenia oxide
 geraniol
 geranyl acetate
 grapefruit pentanol
 green acetate
 heliotropin
 heliotropyl acetone
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 hexyl isovalerate
 hexyl tiglate
 ho leaf oil
 hyacinth ether
 ionones
2,4-ivy carbaldehyde
(Z)-jasmone lactone
 leaf acetal
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 maltol
 melon heptenal
 melon nonenoate
 methyl 2-methyl valerate
 methyl anthranilate
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl dihydrojasmonate
 methyl heptine carbonate
 methyl ionones
 methyl octine carbonate
 mimosa absolute
 muguet carboxaldehyde
beta-naphthyl ethyl ether
 nerol
 neryl acetate
(E,Z)-2,6-nonadien-1-ol
 nonanal
 nonanol
(Z)-6-nonen-1-al
 ocean propanal
(Z)-5-octen-1-ol
 orange oil
 pentyl cyclopentenone
 petitgrain oil
 phenethyl acetate
 phenethyl alcohol
 phenethyl isobutyrate
 phenethyl isovalerate
 phenethyl propionate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 santall
 strawberry furanone
 strawberry glycidate 1
 styralyl acetate
alpha-terpineol
 tetrahydrolinalool
para-tolyl aldehyde
 tonka bean absolute
gamma-undecalactone
 vanilla absolute
 vanillyl acetate
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 woody amylene
(odor and/or flavor) used in :
 apple
 banana
 grape
 guava
 kiwi
 mango
 melon
 pear bartlett pear
 tropical
natural occurrence in :
apple
brandy pear brandy
durian
grape
pear
quince
wine



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