herbal dioxane
 
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IUPAC name :5,5-dimethyl-4-propan-2-yl-1,3-dioxane
InChI :InChI=1/C9H18O2/c1-7(2)8-9(3,4)5-10-6-11-8/h7-8H,5-6H2,1-4H3
InChIKey :KBYHWUXTLMRZHL-UHFFFAOYAS
(EINECS) number :222-709-6
cas number :3583-00-4
molar refractivity :44.84 ± 0.3 cm3
parachor :393.7 ± 6.0 cm3
index of refraction :1.415 ± 0.02
surface tension :23.3 ± 3.0 dyne/cm
density :0.883 ± 0.06 g/cm3
polarizability :17.77 ± 0.5 10-24cm3
xlogp : 1.90
molecular weight : 158.2380200
formula :C9 H18 O2
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :herbal
odor strength :medium
odor description :
at 100.00 %.  
fresh green herbal camphor woody
substantivity :116  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.93000 @ 25.00 °C.
refractive index :1.43700 - 1.44100 @ 20.00 °C.
boiling point : 71.00 °C. @ 26.60 mm Hg
logp : 1.96
safety : 
Oral Toxicity(LD50) : Oral-Mouse    4.10  gm/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 134.00  °F.  TCC  ( 56.67 °C. )
  
recommendation for herbal dioxane usage levels up to :
  3.0000 % in the fragrance concentrate.
  
recommendation for herbal dioxane usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :222-709-6
chemidplus :003583004
epa-srs :3583-00-4
dtp/nci :48577
  
other : 
 
references : 
pubchem :673217
  
synonyms :
 anthoxan
5,5-dimethyl-4-(1-methyl ethyl)-1,3-dioxane
 herbal dioxane
isopropyl dimethyl dioxane
4-isopropyl-5,5-dimethyl-1,3-dioxane
4-isopropyl-5,5-dimethyl-meta-dioxane
soluble in :
 alcohol
insoluble in :
 water
stability :
 alkali
(odor and/or flavor) used in :
 fern fougere
 green
 herbal
 woody
natural occurrence in :
not found in nature



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