para-salicylic 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
cas number :99-96-7
(EINECS) number :202-804-9
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 (IUPAC)
formula :C7 H6 O3
BioActivity Analysis :71153
NMR Predictor :Predict
 
 
export tariff code :2915.13.0000
fda reg :unspecified

Suppliers :
Aceto :para-Hydroxy Benzoic Acid
Penta :p-hydroxybenzoic acid
SAFC Global® :4-Hydroxybenzoic acid

organoleptics :
odor type :phenolic
odor strength :medium
odor description:
at 100.00 %.  
phenolic nutty

properties :
appearence :white powder
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 213.00 to 215.00 °C. @ 760.00 mm Hg
boiling point : 334.00 to 335.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 1.42

safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 22 - Do not breath dust.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Oral-Mouse    2200.00  mg/kg
(Sokol, 1952)

Oral-Rat    >10000.00  mg/kg

Intraperitoneal-Rat    340.00  mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 85, 1986.

Intraperitoneal-Mouse    210.00  mg/kg
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 260, 1956.

Dermal Toxicity(LD50) : 
  Subcutaneous-Mouse  1050.00  mg/kg
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 135, 1960.

Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :16.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :17.00 (μg/capita/day)
 
recommendation for para-salicylic acid fragrance usage levels up to :
 not for fragrance use.
 
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).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 20
 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 references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
AIDS Citations :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
 
WGK Germany :1
 
 
 
 
4-hydroxybenzoic acid
(EINECS) number :202-804-9
RTECS :DH1925000 for cas# 99-96-7
chemidplus :000099967
EPA Substance Registry Services :99-96-7
dtp/nci :4961

references :
 
4-hydroxybenzoic acid
fl. number :08.040
jecfa number :957
NIST Chemistry WebBook :99967
pubchem :150542

Cosmetics :
Cosmetic uses : preservatives

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
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

potential uses :
 preservatives

natural occurrence in :    note
 coffee  

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