isoamyl geranate
 
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IUPAC name :3-methylbutyl (2E)-3,7-dimethylocta-2,6-dienoate
InChI :InChI=1/C15H26O2/c1-12(2)7-6-8-14(5)11-15(16)17-10-9-13(3)4/h7,11,13H,6,8-10H2,1-5H3/b14-11+
InChIKey :UYYJNVGFCCTXSK-SDNWHVSQBW
SMILES :CC(C)CCOC(=O)\C=C(/C)\CCC=C(C)C
(EINECS) number :268-700-0
cas number :68133-73-3
molar refractivity :73.07 ± 0.3 cm3
parachor :617.8 ± 4.0 cm3
index of refraction :1.459 ± 0.02
surface tension :28.7 ± 3.0 dyne/cm
density :0.893 ± 0.06 g/cm3
polarizability :28.96 ± 0.5 10-24cm3
xlogp : 4.80
molecular weight : 238.3657400
formula :C15 H26 O2
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
rose lemon honey hay
properties : 
appearence :colorless clear oily liquid
assay : 95.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.89000 - 0.90000 @ 25.00 °C.
pounds per gallon - calc. : 7.406 to 7.489
refractive index :1.46100 - 1.47100 @ 20.00 °C.
boiling point : 110.00 °C. @ 1.00 mm Hg
logp : 5.91
safety : 
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for isoamyl geranate usage levels up to :
  8.0000 % in the fragrance concentrate.
  
recommendation for isoamyl geranate usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :268-700-0
chemidplus :068133733
epa-srs :68133-73-3
  
other : 
 
references : 
pubchem :188613
  
synonyms :
(E)-isoamyl geranate
isoamyl geranate
(E)-3,7-dimethyl-2,6-octadienoic acid 3-methyl butyl ester
(E)-3,7-dimethyl-2,6-octadienoic acid isopentyl ester
3-methyl butyl (E)-3,7-dimethyl octa-2,6-dienoate
3-methyl butyl (E)-3,7-dimethyl-2,6-octadienoate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 citrus
 herbal
 honey miel
 lemon
 rose
natural occurrence in :
not found in nature



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