butyl propionate
 
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IUPAC name :butyl propanoate
InChI :InChI=1/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
InChIKey :BTMVHUNTONAYDX-UHFFFAOYAE
SMILES :CCCCOC(=O)CC
(EINECS) number :209-669-5
eu annex :607-029-00-3
cas number :590-01-2
beilstein number :1700932
fema number :2211
coe number :405
jecfa number :143
fl. number :09.124
molar refractivity :36.25 ± 0.3 cm3
parachor :335.3 ± 4.0 cm3
index of refraction :1.406 ± 0.02
surface tension :26.6 ± 3.0 dyne/cm
density :0.882 ± 0.06 g/cm3
polarizability :14.37 ± 0.5 10-24cm3
xlogp : 1.80
molecular weight : 130.1848600
formula :C7 H14 O2
 
 
fda reg :172.515 h. number :2915.50.3000
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
earthy sweet weak rose
taste description³ :at 30.00 ppm.  
Fruity, sweet, banana, tropical and tutti-frutti
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87500 @ 25.00 °C.
specific gravity :0.87950 - 0.88250 @ 15.00 °C.
pounds per gallon - calc. : 7.333 to 7.358
refractive index :1.40200 @ 20.00 °C.
refractive index :1.40000 - 1.40200 @ 20.00 °C.
boiling point : 145.00 °C. @ 756.00 mm Hg
boiling point : 145.00 - 146.00 °C. @ 760.00 mm Hg
acid value : 0.20  max.  KOH/g
logp : 2.34
safety : 
Oral Toxicity(LD50) : Oral-Rat    5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >14.00  gm/kg    
Maximised Survey-derived Daily Intakes (MSDI) :10.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 101.00  °F.  TCC  ( 38.33 °C. )
  
recommendation for butyl propionate usage levels up to :
  4.0000 % in the fragrance concentrate.
  
recommendation for butyl propionate usage levels up to :
  30.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :209-669-5
rtecs :UE8245000 for 590-01-2
chemidplus :000590012
epa-srs :590-01-2
  
other : 
 
references : 
pubchem :154833
NIST Chemistry WebBook :2273899249
  
reference : Mosciano, Gerard P&F 22, No. 4, 75, (1997)³
synonyms :
 butyl propanoate
N-butyl propanoate
 butyl propionate
N-butyl propionate
 propanoic acid butyl ester
 propionic acid butyl ester
soluble in :
 alcohol
 ether
 water, 1500 mg/L @ 20C
insoluble in :
 water
(odor and/or flavor) used in :
 apple
 apricot
 banana
 blackberry
 earth humus
 grape
 melon
 mushroom
 peach
 pear
 pineapple
 plum
 raspberry
 starfruit
 strawberry
 tropical
natural occurrence in :
apple
banana
blackberry
grape cherimoya grape
melon
mushroom
plum
raspberry
starfruit
strawberry



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