peach pivalate
 
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InChI :InChI=1/C15H22O2/c1-15(2,3)14(16)17-13-8-9-7-12(13)11-6-4-5-10(9)11/h4-5,9-13H,6-8H2,1-3H3
InChIKey :MEAGMJILPLJCFQ-UHFFFAOYAR
SMILES :CC(C)(C)C(=O)OC1CC2CC1C3C2C=CC3
(EINECS) number :268-259-4
cas number :68039-44-1
molar refractivity :67.03 ± 0.4 cm3
parachor :541.5 ± 6.0 cm3
index of refraction :1.522 ± 0.03
surface tension :36.8 ± 5.0 dyne/cm
density :1.06 ± 0.1 g/cm3
polarizability :26.57 ± 0.5 10-24cm3
xlogp : 3.40
molecular weight : 234.3339800
formula :C15 H22 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Givaudan :Pivacyclene
 
 

organoleptics :
odor strength :medium
odor description :
at 100.00 %.  
fruity peach sweet powdery green floral

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 299.00 - 300.00 °C. @ 760.00 mm Hg
logp : 3.93

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 260.00  °F.  TCC  ( 126.67 °C. )
  
recommendation for peach pivalate usage levels up to :
  8.0000 % in the fragrance concentrate.
  
recommendation for peach pivalate usage levels up to :
 not for flavor use.
  

safety links :
(EINECS) number :268-259-4
chemidplus :068039441
epa-srs :68039-44-1
  

other :
 

references :
pubchem :684272
  
synonyms :
3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl pivalate
 hexahydro-4,7-methanoinden-5(or 6)-yl pivalate
 hexahydromethanoinden-6-yl pivalate
 peach pivalate
 pivacyclene
 tricyclo(5.2.1.0~2,6~)dec-4-en-8-yl 2,2-dimethyl propanoate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 floral
 fruit
 jasmin
 peach
natural occurrence in :
not found in nature



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