octyl valerate
 
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IUPAC name :octyl pentanoate
InChI :InChI=1/C13H26O2/c1-3-5-7-8-9-10-12-15-13(14)11-6-4-2/h3-12H2,1-2H3
InChIKey :OUYCCOBIJYUMAK-UHFFFAOYAJ
SMILES :CCCCCCCCOC(=O)CCCC
(EINECS) number :226-687-9
cas number :5451-85-4
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 : 5.30
molecular weight : 214.3443400
formula :C13 H26 O2
 
 
fda reg :unspecified h. number :unspecified
 
organoleptics : 
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 261.00 - 262.00 °C. @ 760.00 mm Hg
logp : 5.28
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 229.00  °F.  TCC  ( 109.44 °C. )
  
safety links : 
(EINECS) number :226-687-9
chemidplus :005451854
epa-srs :5451-85-4
dtp/nci :21870
  
other : 
 
references : 
pubchem :656549
NIST Chemistry WebBook :1190006055
  
synonyms :
 octyl valerate
 pentanoic acid octyl ester
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pageosmanthus absolute @ 0.02%



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