undecanal dimethyl acetal
 
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IUPAC name :1,1-dimethoxyundecane
InChI :InChI=1/C13H28O2/c1-4-5-6-7-8-9-10-11-12-13(14-2)15-3/h13H,4-12H2,1-3H3
InChIKey :FBJUQTUWWCVIDH-UHFFFAOYAK
SMILES :CCCCCCCCCCC(OC)OC
(EINECS) number :257-989-9
cas number :52517-67-6
molar refractivity :65.72 ± 0.3 cm3
parachor :586.0 ± 4.0 cm3
index of refraction :1.426 ± 0.02
surface tension :27.3 ± 3.0 dyne/cm
density :0.844 ± 0.06 g/cm3
polarizability :26.05 ± 0.5 10-24cm3
xlogp : 5.30
molecular weight : 216.3602200
formula :C13 H28 O2
 
 
export tariff code :2911.00.5000
fda reg :unspecified
 
 

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
fresh floral citrus

properties :
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84300 - 0.85300 @ 25.00 °C.
pounds per gallon - calc. : 7.015 to 7.098
refractive index :1.42300 - 1.43300 @ 20.00 °C.
boiling point : 68.00 °C. @ 15.00 mm Hg
boiling point : 248.00 - 249.00 °C. @ 760.00 mm Hg
logp : 4.86

safety :
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 225.00  °F.  TCC  ( 107.22 °C. )
  
recommendation for undecanal dimethyl acetal usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for undecanal dimethyl acetal usage levels up to :
 not for flavor use.
  

safety links :
(EINECS) number :257-989-9
chemidplus :052517676
epa-srs :52517-67-6
  

other :
 

references :
pubchem :681644
NIST Chemistry WebBook :2756704517
  
synonyms :
 aldehyde C-11 undecylic dimethyl acetal
1,1-dimethoxyundecane
 undecanal dimethyl acetal
soluble in :
 alcohol
insoluble in :
 water
stability :
 alkalis
(odor and/or flavor) used in :
 citrus
 floral
 fresh
natural occurrence in :
not found in nature



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