allyl cyclohexyl hexanoate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :prop-2-enyl 6-cyclohexylhexanoate
InChI :InChI=1/C15H26O2/c1-2-13-17-15(16)12-8-4-7-11-14-9-5-3-6-10-14/h2,14H,1,3-13H2
InChIKey :MMVNCZIEXUKMHF-UHFFFAOYAR
SMILES :C=CCOC(=O)CCCCCC1CCCCC1
cas number :7493-66-5
fema number :2025
coe number :2180
jecfa number :16
fl. number :09.492
molar refractivity :70.92 ± 0.3 cm3
parachor :616.5 ± 4.0 cm3
index of refraction :1.461 ± 0.02
surface tension :32.5 ± 3.0 dyne/cm
density :0.923 ± 0.06 g/cm3
polarizability :28.11 ± 0.5 10-24cm3
xlogp : 5.80
molecular weight : 238.3657400
formula :C15 H26 O2
BioActivity Analysis :73951
 
 
fda reg :172.515 h. number :unspecified
organoleptics : 
odor type :fatty
odor strength :medium
odor description :
at 100.00 %.  
fatty fruity
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.90000 - 0.90500 @ 25.00 °C.
pounds per gallon - calc. : 7.489 to 7.531
refractive index :1.41200 - 1.41700 @ 20.00 °C.
boiling point : 128.00 °C. @ 1.50 mm Hg
logp : 5.71
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 277.00  °F.  TCC  ( 136.11 °C. )
  
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl cyclohexyl hexanoate usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for allyl cyclohexyl hexanoate usage levels up to :
  10.0000 ppm in the flavor.
  
safety links : 
chemidplus :007493665
epa-srs :7493-66-5
dtp/nci :8255
  
other : 
 
references : 
pubchem :197663
  
synonyms :
 allyl 6-cyclohexane hexanoate
 allyl cyclohexane caproate
 allyl cyclohexane hexanoate
 allyl cyclohexyl caproate
 allyl cyclohexyl hexanoate
 allyl hexahydrophenyl hexanoate
 cyclohexane hexanoic acid 2-propenyl ester
 cyclohexane hexanoic acid allyl ester
 prop-2-enyl 6-cyclohexyl hexanoate
2-propen-1-yl cyclohexane caproate
2-propenyl cyclohexane hexanoate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 brandy
 grape
natural occurrence in :
not found in nature



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