cyclohexyl formate
 
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IUPAC name :cyclohexyl formate
InChI :InChI=1/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKey :VUXKVKAHWOVIDN-UHFFFAOYAE
SMILES :C1CCC(CC1)OC=O
(EINECS) number :224-415-3
cas number :4351-54-6
fema number :2353
coe number :498
jecfa number :1095
fl. number :09.160
molar refractivity :34.47 ± 0.4 cm3
parachor :307.9 ± 6.0 cm3
index of refraction :1.443 ± 0.03
surface tension :31.6 ± 5.0 dyne/cm
density :0.98 ± 0.1 g/cm3
polarizability :13.66 ± 0.5 10-24cm3
xlogp : 1.80
molecular weight : 128.1689800
formula :C7 H12 O2
 
 
fda reg :172.515 h. number :2915.13.0000
organoleptics : 
odor type :ethereal
odor strength :medium
odor description :
at 100.00 %.  
ether cooling sweet fruity banana cherry jam
taste description³ :at 30.00 ppm.  
Slightly cooling, green and fruity banana
properties : 
appearence :colorless clear liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99000 - 0.99900 @ 25.00 °C.
pounds per gallon - calc. : 8.238 to 8.313
refractive index :1.43700 - 1.44500 @ 20.00 °C.
boiling point : 162.00 - 163.00 °C. @ 760.00 mm Hg
boiling point : 100.00 °C. @ 35.00 mm Hg
logp : 2.10
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 120.00  °F.  TCC  ( 48.89 °C. )
  
recommendation for cyclohexyl formate usage levels up to :
  4.0000 % in the fragrance concentrate.
  
recommendation for cyclohexyl formate usage levels up to :
  30.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :224-415-3
chemidplus :004351546
epa-srs :4351-54-6
dtp/nci :11766
  
other : 
 
references : 
pubchem :163180
NIST Chemistry WebBook :1474888506
  
reference : Mosciano, Gerard P&F 15, No. 1, 19, (1990)³
synonyms :
 cyclohexanol formate
 cyclohexanyl formate
 cyclohexyl formate
 formic acid cyclohexyl ester
soluble in :
 acetic acid
 alcohol
 formic acid
insoluble in :
 water
(odor and/or flavor) used in :
 banana
 cherry
 plum
 rum
natural occurrence in :
not found in nature



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