allyl cyclohexyl valerate
 
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IUPAC name :prop-2-enyl 5-cyclohexylpentanoate
InChI :InChI=1/C14H24O2/c1-2-12-16-14(15)11-7-6-10-13-8-4-3-5-9-13/h2,13H,1,3-12H2
InChIKey :NDXGAVFJHHVIQN-UHFFFAOYAH
SMILES :C=CCOC(=O)CCCCC1CCCCC1
cas number :7493-68-7
fema number :2027
coe number :474
jecfa number :15
fl. number :09.469
molar refractivity :66.29 ± 0.3 cm3
parachor :576.8 ± 4.0 cm3
index of refraction :1.460 ± 0.02
surface tension :32.4 ± 3.0 dyne/cm
density :0.928 ± 0.06 g/cm3
polarizability :26.28 ± 0.5 10-24cm3
xlogp : 5.30
molecular weight : 224.3391600
formula :C14 H24 O2
 
 
fda reg :172.515 h. number :2915.60.0000
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
fruity peach apricot apple
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
refractive index :1.46050 @ 22.00 °C.
boiling point : 119.00 °C. @ 1.00 mm Hg
logp : 5.18
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 261.00  °F.  TCC  ( 127.22 °C. )
  
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl cyclohexyl valerate usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for allyl cyclohexyl valerate usage levels up to :
  10.0000 ppm in the flavor.
  
safety links : 
chemidplus :007493687
epa-srs :7493-68-7
  
other : 
 
references : 
pubchem :197664
  
synonyms :
 allyl 5-cyclohexyl pentanoate
 allyl cyclohexane pentanoate
 allyl cyclohexane valerate
 allyl cyclohexyl valerate
 allyl hexahydrophenyl valerate
 cyclohexane pentanoic acid 2-propenyl ester
 cyclohexane valeric acid allyl ester
2-propen-1-yl cyclohexane pentanoate
2-propen-1-yl cyclohexane valerate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 apple
 apricot
 fruit tropical fruit
 peach
 tropical
natural occurrence in :
not found in nature



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