citral ethylene glycol acetal
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane
InChI :InChI=1/C12H20O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,9,12H,4,6-8H2,1-3H3
InChIKey :KSDZVTNRVWBTFN-UHFFFAOYAG
SMILES :CC(=CCCC(=CC1OCCO1)C)C
(EINECS) number :266-344-0
cas number :66408-78-4
molar refractivity :60.33 ± 0.3 cm3
parachor :480.3 ± 4.0 cm3
index of refraction :1.518 ± 0.02
surface tension :33.9 ± 3.0 dyne/cm
density :0.986 ± 0.06 g/cm3
polarizability :23.91 ± 0.5 10-24cm3
xlogp : 2.60
molecular weight : 196.2860000
formula :C12 H20 O2
 
 
IUPAC name :2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1,3-dioxolane
InChI :InChI=1/C12H20O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,9,12H,4,6-8H2,1-3H3/b11-9+
InChIKey :KSDZVTNRVWBTFN-PKNBQFBNBH
SMILES :CC(=CCC/C(=C/C1OCCO1)/C)C
cas number :66408-78-4
molar refractivity :60.33 ± 0.3 cm3
parachor :480.3 ± 4.0 cm3
index of refraction :1.518 ± 0.02
surface tension :33.9 ± 3.0 dyne/cm
density :0.986 ± 0.06 g/cm3
polarizability :23.91 ± 0.5 10-24cm3
xlogp : 2.60
molecular weight : 196.2860000
formula :C12 H20 O2
 
 
fda reg :unspecified h. number :2911.00.5000
organoleptics : 
odor type :citrus
odor strength :medium
odor description :
at 100.00 %.  
fresh floral lemon clean
substantivity :12  Hour(s)
properties : 
appearence :colorless to yellow clear liquid
assay : 95.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.94200 - 0.95200 @ 25.00 °C.
pounds per gallon - calc. : 7.838 to 7.922
refractive index :1.47300 - 1.48300 @ 20.00 °C.
boiling point : 146.00 °C. @ 4.00 mm Hg
logp : 3.21
safety : 
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) : 200.00  °F.  TCC  ( 93.33 °C. )
  
recommendation for citral ethylene glycol acetal usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for citral ethylene glycol acetal usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :266-344-0
chemidplus :66408-78-4
epa-srs :66408-78-4
  
chemidplus :066408784
epa-srs :66408-78-4
  
other : 
 
references : 
pubchem :34712862
  
pubchem :187125
  
synonyms :
 citracetal
 citral ethylene glycol acetal
2-(2,6-dimethyl-1,5-heptadienyl)-1,3-dioxolane
soluble in :
 alcohol
insoluble in :
 water
stability :
 alkalis
(odor and/or flavor) used in :
 bergamot
 citrus
 floral
 green
 lemon
natural occurrence in :
not found in nature



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