2-ethyl butyl acetate
 
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IUPAC name :2-ethylbutyl acetate
InChI :InChI=1/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H3
InChIKey :HQLKZWRSOHTERR-UHFFFAOYAF
SMILES :CCC(CC)COC(=O)C
(EINECS) number :233-095-4
cas number :10031-87-5
fema number :2425
coe number :215
jecfa number :140
fl. number :09.025
molar refractivity :40.84 ± 0.3 cm3
parachor :372.5 ± 4.0 cm3
index of refraction :1.411 ± 0.02
surface tension :26.3 ± 3.0 dyne/cm
density :0.876 ± 0.06 g/cm3
polarizability :16.19 ± 0.5 10-24cm3
xlogp : 2.50
molecular weight : 144.2114400
formula :C8 H16 O2
 
 
fda reg :172.515 h. number :2915.39.9050
organoleptics : 
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
ethereal sweet fruity banana musty oily
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87600 @ 25.00 °C.
refractive index :1.41000 @ 20.00 °C.
boiling point : 161.00 - 163.00 °C. @ 740.00 mm Hg
boiling point : 64.00 - 65.00 °C. @ 20.00 mm Hg
logp : 2.65
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 127.00  °F.  TCC  ( 52.78 °C. )
  
recommendation for 2-ethyl butyl acetate usage levels up to :
  0.8000 % in the fragrance concentrate.
  
recommendation for 2-ethyl butyl acetate usage levels up to :
  7.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :233-095-4
chemidplus :010031875
epa-srs :10031-87-5
  
other : 
 
references : 
pubchem :197705
NIST Chemistry WebBook :3123619803
  
synonyms :
 acetic acid 2-ethyl butyl ester
2-ethyl butyl acetate
beta-ethyl butyl acetate
soluble in :
 alcohol
 water, 6400 mg/L @ 20C
insoluble in :
 water
(odor and/or flavor) used in :
 apricot
 banana
 citrus
 earth humus
 gooseberry
 moss
 mushroom
 peach
 pear
natural occurrence in :
not found in nature



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