isobornyl formate
 
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IUPAC name :[(6S)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] formate
InChI :InChI=1/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3/t8?,9-,11u/m0/s1
InChIKey :RDWUNORUTVEHJF-YUCVTWSNBY
SMILES :CC1(C2CCC1([C@H](C2)OC=O)C)C
(EINECS) number :214-853-3
cas number :1200-67-5
fema number :2162
coe number :565
jecfa number :1390
fl. number :09.176
molar refractivity :50.94 ± 0.4 cm3
parachor :429.2 ± 6.0 cm3
index of refraction :1.482 ± 0.03
surface tension :33.4 ± 5.0 dyne/cm
density :1.02 ± 0.1 g/cm3
polarizability :20.19 ± 0.5 10-24cm3
xlogp : 3.20
molecular weight : 182.2594200
formula :C11 H18 O2
 
 
fda reg :172.515 h. number :2915.13.0000
organoleptics : 
odor type :balsamic
odor strength :medium
odor description :
at 100.00 %.  
cooling musty medical camphor mint woody earthy
taste description³ :at 30.00 ppm.  
Woody, cooling, musty, floral, camphoreous and minty
substantivity :12  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.00600 - 1.00900 @ 25.00 °C.
pounds per gallon - calc. : 8.371 to 8.396
refractive index :1.47170 @ 20.00 °C.
boiling point : 110.00 °C. @ 20.00 mm Hg
boiling point : 85.00 - 86.00 °C. @ 7.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 3.19
safety : 
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) : 173.00  °F.  TCC  ( 78.33 °C. )
  
recommendation for isobornyl formate usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for isobornyl formate usage levels up to :
  30.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :214-853-3
chemidplus :001200675
epa-srs :1200-67-5
  
other : 
 
references : 
jecfa number :1390
fl. number :09.176
pubchem :203685
  
reference : Mosciano, Gerard P&F 16, No. 5, 71, (1991)³
synonyms :
isoborneol formate
exo-2-bornyl formate
isobornyl formate
isobornyl methanoate
exo-2-camphanyl formate
exo-1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl formate
soluble in :
 alcohol
 dipropylene glycol
insoluble in :
 water
(odor and/or flavor) blends with :
 lavender absolute
(odor and/or flavor) used in :
 berry
 citrus
 cooling
 eucalyptus
 fern fougere
 gorse
 heather
 lavender
 lime
 outdoors fresh outdoors
 pine
 pine tar
 raspberry
 tweed
natural occurrence in :
found in nature



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Html Last modified 08/14/2008