4-hydroxybenzoic acid
 
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IUPAC name :4-hydroxybenzoic acid
InChI :InChI=1/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
InChIKey :FJKROLUGYXJWQN-UHFFFAOYAQ
SMILES :C1=CC(=CC=C1C(=O)O)O
(EINECS) number :202-804-9
cas number :99-96-7
beilstein number :0970950
fema number :3986
coe number :693
jecfa number :957
fl. number :08.040
molar refractivity :35.06 ± 0.3 cm3
parachor :284.4 ± 4.0 cm3
index of refraction :1.615 ± 0.02
surface tension :64.4 ± 3.0 dyne/cm
density :1.375 ± 0.06 g/cm3
polarizability :13.90 ± 0.5 10-24cm3
xlogp : 1.20
molecular weight : 138.1207400
formula :C7 H6 O3
BioActivity Analysis :71153
 
 
fda reg :unspecified h. number :2915.13.0000
 
organoleptics : 
odor type :phenolic
odor strength :medium
odor description :
at 100.00 %.  
phenolic nutty
properties : 
appearence :white powder
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 213.00 - 215.00 °C. @ 760.00 mm Hg
boiling point : 334.00 - 335.00 °C. @ 760.00 mm Hg
logp : 1.42
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    >10.00  gm/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for 4-hydroxybenzoic acid usage levels up to :
  0.5000 % in the fragrance concentrate.
  
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
publication number : 20.
3986 average usual ppmaverage maximum ppm
baked goods : 60.00000360.00000
beverages(nonalcoholic) : 20.00000100.00000
beverages(alcoholic) : 50.00000300.00000
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : 30.00000200.00000
fish products : --
frozen dairy : 50.00000300.00000
fruit ices : 50.00000300.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : 50.00000300.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 50.00000300.00000
soups : --
sugar substitutes : --
sweet sauces : --
safety links : 
(EINECS) number :202-804-9
rtecs :DH1925000 for 99-96-7
chemidplus :000099967
epa-srs :99-96-7
dtp/nci :4961
  
other : 
 
references : 
jecfa number :957
fl. number :08.040
pubchem :150542
  
synonyms :
4-carboxyphenol
 hydroxybenzene carboxylic acid
para-hydroxybenzoate
4-hydroxybenzoic acid
para-hydroxybenzoic acid
4-salicylic acid
para-salicylic acid
soluble in :
 alcohol
 water, 5000 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 preservatives
natural occurrence in :
found in nature



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