cyclohexyl propionate
 
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IUPAC name :cyclohexyl propanoate
InChI :InChI=1/C9H16O2/c1-2-9(10)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKey :MAMMVUWCKMOLSG-UHFFFAOYAR
SMILES :CCC(=O)OC1CCCCC1
(EINECS) number :228-303-5
cas number :6222-35-1
fema number :2354
coe number :421
jecfa number :1097
fl. number :09.140
molar refractivity :43.50 ± 0.4 cm3
parachor :384.3 ± 6.0 cm3
index of refraction :1.447 ± 0.03
surface tension :31.0 ± 5.0 dyne/cm
density :0.95 ± 0.1 g/cm3
polarizability :17.24 ± 0.5 10-24cm3
xlogp : 2.30
molecular weight : 156.2221400
formula :C9 H16 O2
 
 
fda reg :172.515 h. number :2915.50.3000
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
sweet fruity banana green waxy
taste description³ :at 30.00 ppm.  
Sweet, fruity, banana, with green waxy nuances
properties : 
appearence :colorless clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.95400 @ 25.00 °C.
boiling point : 72.00 - 73.00 °C. @ 10.00 mm Hg
boiling point : 46.00 - 50.00 °C. @ 0.70 mm Hg
logp : 3.13
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 154.00  °F.  TCC  ( 67.78 °C. )
  
recommendation for cyclohexyl propionate usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for cyclohexyl propionate usage levels up to :
  30.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :228-303-5
chemidplus :006222351
epa-srs :6222-35-1
dtp/nci :11770
  
other : 
 
references : 
pubchem :197638
NIST Chemistry WebBook :965077484
  
reference : Mosciano, Gerard P&F 15, No. 2, 69, (1990)³
synonyms :
 cyclohexyl propanoate
 cyclohexyl propionate
 propanoic acid cyclohexyl ester
 propionic acid cyclohexyl ester
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 apple
 banana
 currant
 grape
 peach
 pear
 pineapple
 raspberry
 strawberry
natural occurrence in :
not found in nature



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