acetic acid
 
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IUPAC name :acetic acid
InChI :InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/f/h3H
InChIKey :QTBSBXVTEAMEQO-TULZNQERCK
SMILES :CC(=O)O
(EINECS) number :200-580-7
eu annex :607-002-00-6
cas number :64-19-7
fema number :2006
coe number :2
jecfa number :81
fl. number :08.002
molar refractivity :12.87 ± 0.3 cm3
parachor :133.5 ± 4.0 cm3
index of refraction :1.375 ± 0.02
surface tension :13.9 ± 3.0 dyne/cm
density :1.068 ± 0.06 g/cm3
polarizability :5.10 ± 0.5 10-24cm3
xlogp : -0.10
molecular weight : 60.0519600
formula :C2 H4 O2
BioActivity Analysis :476220
 
 
fda reg :133.123
133.124
133.169
133.173
133.178
133.179
172.814
173.370
184.1005
73.85
h. number :2915.21.0000
organoleptics : 
odor type :acidic
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in propylene glycol.  
sharp pungent sour vinegar
substantivity :10 hour(s) at 100.00 %
properties : 
appearence :colorless clear liquid
Food Chemicals Codex Listed :Yes
specific gravity :1.04600 - 1.05100 @ 25.00 °C.
pounds per gallon - calc. : 8.704 to 8.745
refractive index :1.37100 - 1.37500 @ 20.00 °C.
melting point : 16.60 - 16.70 °C. @ 760.00 mm Hg
boiling point : 117.00 - 118.00 °C. @ 760.00 mm Hg
boiling point : 48.00 - 49.00 °C. @ 50.00 mm Hg
logp : -0.17
safety : 
most important hazard(s) : C - Corrosive.
  
Oral Toxicity(LD50) : Oral-Rat    3310.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  1060.00  ul/kg    
  
flash point ( Deg. F. ) : 104.00  °F.  TCC  ( 40.00 °C. )
  
recommendation for acetic acid usage levels up to :
 not for fragrance use.
  
recommendation for acetic acid usage levels up to :
  6000.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :200-580-7
rtecs :AF1225000 for 64-19-7
toxnet :64-19-7
epa-srs :64-19-7
pubchem :64-19-7
  
other : 
 
references : 
synonyms :
 acetasol
 acetic acid
 acetic acid glacial
 ethanoic acid
 ethylic acid
 methane carboxylic acid
 pyroligneous acid
 vinegar acid
soluble in :
 alcohol
 water, 1000000 mg/L @ 25C
(odor and/or flavor) used in :
 buffering agents
 garlic
 raspberry
natural occurrence in :
 bergamot
 bergamot plant wild
 orange bitter orange
 petitgrain lemon petitgrain
 raspberry plant



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