butyric acid
 
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IUPAC name :butanoic acid
InChI :InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/f/h5H
InChIKey :FERIUCNNQQJTOY-JSWHHWTPCW
SMILES :CCCC(=O)O
(EINECS) number :203-532-3
eu annex :607-135-00-x
cas number :107-92-6
beilstein number :0906770
fema number :2221
coe number :5
jecfa number :87
fl. number :08.005
molar refractivity :22.14 ± 0.3 cm3
parachor :213.0 ± 4.0 cm3
index of refraction :1.411 ± 0.02
surface tension :32.5 ± 3.0 dyne/cm
density :0.987 ± 0.06 g/cm3
polarizability :8.77 ± 0.5 10-24cm3
xlogp : 0.70
molecular weight : 88.1051200
formula :C4 H8 O2
BioActivity Analysis :74110
 
 
fda reg :182.60 h. number :2915.60.0000
organoleptics : 
odor type :cheesy
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
sharp dairy cheese butter fruit
taste description³ :at 250.00 ppm.  
Acidic sour, cheesy, dairy, creamy with a fruity nuance
substantivity :24  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 99.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :Yes
specific gravity :0.85200 - 0.95600 @ 25.00 °C.
pounds per gallon - calc. : 7.089 to 7.955
refractive index :1.39700 - 1.39900 @ 20.00 °C.
melting point : -7.00 - -5.00 °C. @ 760.00 mm Hg
boiling point : 162.00 - 164.00 °C. @ 760.00 mm Hg
boiling point : 90.00 - 91.00 °C. @ 50.00 mm Hg
logp : 0.79
safety : 
most important hazard(s) : C - Corrosive.
  
Oral Toxicity(LD50) : Oral-Rat    2.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  530.00  ul/kg    
  
flash point ( Deg. F. ) : 167.00  °F.  TCC  ( 75.00 °C. )
  
recommendation for butyric acid usage levels up to :
  0.0500 % in the fragrance concentrate.
  
recommendation for butyric acid usage levels up to :
  270.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :203-532-3
rtecs :ES5425000 for 107-92-6
chemidplus :000107926
epa-srs :107-92-6
dtp/nci :8415
  
other : 
 
references : 
pubchem :151005
NIST Chemistry WebBook :2589720300
  
reference : Mosciano, Gerard P&F 19, No. 2, 55, (1994)³
synonyms :
 butanic acid
 butanoic acid
N-butanoic acid
 butyric acid
1-butyric acid
N-butyric acid
 ethyl acetic acid
1-propane carboxylic acid
 propyl formic acid
soluble in :
 alcohol
 fixed oils
 propylene glycol
 water, 60000 mg/L @ 25C
insoluble in :
 paraffin oil
(odor and/or flavor) used in :
 apple
 banana
 barley
 beef roasted beef
 beer
 bramble arctic bramble
 bread white bread
 butter
 butterscotch
 castoreum
 cheese blue cheese
 cheese cheddar cheese
 cheese swiss cheese
 cherry
 chocolate cocoa
 cider
 citronella
 cloudberry bakeapple
 coffee
 currant
 eucalyptus
 fish
 grape
 honey miel
 hops houblon
 mace
 melon watermelon muskmelon cantaloupe
 mushroom
 natural
 nut
 nut peanut
 nut pistachio
 nut walnut
 nutmeg
 onion
 papaya
 passion fruit
 peach
 pear
 pineapple
 plum brandy
 sauerkraut
 sherry
 soybean
 tea green tea
 tomato
 trassi
 valerian
 yogurt
natural occurrence in :
anise seed
apple
arctic bramble
banana
barley roasted barley
beef heated beef
beer
bergamot plant wild
blackberry
brandy grape brandy
brandy pear brandy
brandy plum brandy
bread
bread white bread
butter
cajuput
cheese bleu cheese
cheese cheddar cheese
cheese swiss cheese
cherry
cider
citronella ceylon
cloudberry
cocoa
coffee
coffee roasted coffee
currant
dairy products
eucalyptus globulus
fish
fish
fruits
grape
honey
hop
lavender
meat
milk
morello
mushroom
niaouli
nutmeg
nuts
onion roasted onion
data pageosmanthus absolute @ trace%
papaya
passion fruit
peach
peanut roasted peanut
pear
pennyroyal
pork heated pork
potato chip
raspberry fruit
rum
sauerkraut
sherry
soya bean
strawberry
tea
tomato
trassi cooked trassi
valerian
vegetables
whiskey
wine
yogurt



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