undecyl acetate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :undecyl acetate
InChI :InChI=1/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3-12H2,1-2H3
InChIKey :CKQGCFFDQIFZFA-UHFFFAOYAZ
SMILES :CCCCCCCCCCCOC(=O)C
(EINECS) number :217-051-1
cas number :1731-81-3
coe number :10906
fl. number :09.820
molar refractivity :64.05 ± 0.3 cm3
parachor :574.0 ± 4.0 cm3
index of refraction :1.432 ± 0.02
surface tension :29.3 ± 3.0 dyne/cm
density :0.869 ± 0.06 g/cm3
polarizability :25.39 ± 0.5 10-24cm3
xlogp : 5.60
molecular weight : 214.3443400
formula :C13 H26 O2
 
 
fda reg :unspecified h. number :unspecified
 
organoleptics : 
odor strength :medium
odor description :
at 100.00 %.  
oily clean waxy
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85800 - 0.86400 @ 25.00 °C.
pounds per gallon - calc. : 7.139 to 7.189
boiling point : 259.00 - 260.00 °C. @ 760.00 mm Hg
logp : 5.28
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI) :<0.005 (μg/capita/day)
  
flash point ( Deg. F. ) : 231.00  °F.  TCC  ( 110.56 °C. )
  
recommendation for undecyl acetate usage levels up to :
  6.0000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :217-051-1
chemidplus :001731813
epa-srs :1731-81-3
dtp/nci :23056
  
other : 
 
references : 
fl. number :09.820
pubchem :158909
NIST Chemistry WebBook :3744674877
  
synonyms :
1-undecanol acetate
 undecyl acetate
soluble in :
 alcohol
 water, 1 mg/L @ 25C
natural occurrence in :
data pagelemon oil california @ 0.009%
data pagemikan peel oil @ trace%



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