allyl sorbate
 
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IUPAC name :prop-2-enyl (2E,4E)-hexa-2,4-dienoate
InChI :InChI=1/C9H12O2/c1-3-5-6-7-9(10)11-8-4-2/h3-7H,2,8H2,1H3/b5-3+,7-6+
InChIKey :CVNZYQJBZIJLCL-TWTPFVCWBA
SMILES :C\C=C\C=C\C(=O)OCC=C
cas number :30895-79-5
fema number :2041
coe number :2182
jecfa number :8
molar refractivity :45.36 ± 0.3 cm3
parachor :378.3 ± 4.0 cm3
index of refraction :1.468 ± 0.02
surface tension :29.1 ± 3.0 dyne/cm
density :0.934 ± 0.06 g/cm3
polarizability :17.98 ± 0.5 10-24cm3
xlogp : 2.40
molecular weight : 152.1903800
formula :C9 H12 O2
 
 
fda reg :unspecified h. number :2916.19.4000
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
fruity pineapple
properties : 
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94500 - 0.94700 @ 25.00 °C.
pounds per gallon - calc. : 7.863 to 7.880
refractive index :1.50500 - 1.50700 @ 20.00 °C.
boiling point : 207.00 - 208.00 °C. @ 760.00 mm Hg
logp : 2.61
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 198.00  °F.  TCC  ( 92.22 °C. )
  
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl sorbate usage levels up to :
  4.0000 % in the fragrance concentrate.
  
recommendation for allyl sorbate usage levels up to :
  5.0000 ppm in the flavor.
  
safety links : 
chemidplus :007493756
epa-srs :30895-79-5
  
other : 
 
references : 
pubchem :197668
  
synonyms :
 allyl 2,4-hexadienoate
 allyl sorbate
2,4-hexadienoic acid 2-propenyl ester
2-propen-1-yl 2,4-hexadienoate
2-propenyl 2,4-hexadienoate
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
not found in nature



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