5,5-dibutyl dihydrofuran-2(3H)-one
 
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IUPAC name :5,5-dibutyloxolan-2-one
InChI :InChI=1/C12H22O2/c1-3-5-8-12(9-6-4-2)10-7-11(13)14-12/h3-10H2,1-2H3
InChIKey :KZEKELDMLDBVFV-UHFFFAOYAC
SMILES :CCCCC1(CCC(=O)O1)CCCC
(EINECS) number :231-875-9
cas number :7774-47-2
fema number :2372
coe number :2231
jecfa number :227
fl. number :10.018
molar refractivity :57.27 ± 0.3 cm3
parachor :502.9 ± 6.0 cm3
index of refraction :1.443 ± 0.02
surface tension :29.4 ± 3.0 dyne/cm
density :0.918 ± 0.06 g/cm3
polarizability :22.70 ± 0.5 10-24cm3
xlogp : 4.10
molecular weight : 198.3018800
formula :C12 H22 O2
 
 
fda reg :172.515 h. number :2932.29.6000
organoleptics : 
odor type :coconut
odor strength :medium
odor description :
at 100.00 %.  
oily coconut butter
properties : 
appearence :colorless clear oily liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 279.00 - 280.00 °C. @ 760.00 mm Hg
logp : 3.46
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI) :0.12 (μg/capita/day)
  
flash point ( Deg. F. ) : 235.00  °F.  TCC  ( 112.78 °C. )
  
recommendation for 5,5-dibutyl dihydrofuran-2(3H)-one usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for 5,5-dibutyl dihydrofuran-2(3H)-one usage levels up to :
  15.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :231-875-9
chemidplus :007774472
epa-srs :7774-47-2
  
other : 
 
references : 
pubchem :204184
  
synonyms :
4-butyl-4-hydroxyoctanoic acid lactone
 dibutyl butyrolactone
5,5-dibutyl dihydrofuran-2(3H)-one
 dibutyl dihydrofuranone
4,4-dibutyl-4-hydroxybutyric acid gamma-lactone
4,4-dibutyl-gamma-butyrolactone
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 bay rum
 butter
 coconut
 pina colada
 tropical
natural occurrence in :
not found in nature



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