privet dioxane
 
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IUPAC name :5-methyl-2-pentan-2-yl-5-propyl-1,3-dioxane
InChI :InChI=1/C13H26O2/c1-5-7-11(3)12-14-9-13(4,8-6-2)10-15-12/h11-12H,5-10H2,1-4H3
InChIKey :LODLFUCEWWWXPR-UHFFFAOYAC
SMILES :CCCC(C)C1OCC(CO1)(C)CCC
(EINECS) number :279-482-1
cas number :80480-24-6
molar refractivity :63.36 ± 0.3 cm3
parachor :554.0 ± 6.0 cm3
index of refraction :1.428 ± 0.02
surface tension :25.6 ± 3.0 dyne/cm
density :0.870 ± 0.06 g/cm3
polarizability :25.11 ± 0.5 10-24cm3
xlogp : 4.20
molecular weight : 202.3336400
formula :C12 H26 O2
 
 
export tariff code :2910.90
fda reg :unspecified
 
 

organoleptics :
odor type :green
odor strength :medium
odor description :
at 100.00 %.  
fresh oily green jasmin herbal spicy privetblossom
substantivity :24  Hour(s)

properties :
appearence :colorless clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88900 @ 25.00 °C.
refractive index :1.44000 - 1.44300 @ 20.00 °C.
boiling point : 72.00 °C. @ 0.10 mm Hg
logp : 4.09

safety :
Oral Toxicity(LD50) : Oral-Mouse    2.10  gm/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for privet dioxane usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for privet dioxane usage levels up to :
 not for flavor use.
  

safety links :
(EINECS) number :279-482-1
chemidplus :080480246
epa-srs :80480-24-6
  

other :
 

references :
pubchem :743906
  
synonyms :
5-methyl-2-(1-methyl butyl)-5-propyl-1,3-dioxane
5-methyl-2-pentan-2-yl-5-propyl-1,3-dioxane
5-methyl-5-propyl-2-(1-methyl butyl)-1,3-dioxane
 privet dioxane
 troenan
soluble in :
 alcohol
insoluble in :
 water
stability :
 alkalis
(odor and/or flavor) used in :
 citrus
 freesia
 green
 herbal
 jasmin
 muguet lily of the valley
 oriental
 privet
 privet blossom
natural occurrence in :
not found in nature



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Html Last modified 10/29/2008