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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 |
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| export tariff code : | 2915.13.0000 |
| fda reg : | unspecified |
Suppliers :
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| Aceto : | para-Hydroxy Benzoic Acid
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| Penta : | p-hydroxybenzoic acid
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| SAFC Global® : | 4-Hydroxybenzoic acid
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organoleptics :
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| odor type : | phenolic |
| odor strength : | medium |
odor description: at 100.00 %. | phenolic nutty |
properties :
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| appearence : | white powder |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 213.00 to 215.00 °C. @ 760.00 mm Hg
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| boiling point : | 334.00 to 335.00 °C. @ 760.00 mm Hg
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 1.42 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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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.
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| Oral Toxicity(LD50) : | |
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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.
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| Dermal Toxicity(LD50) : | |
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Subcutaneous-Mouse 1050.00 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 135, 1960.
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| 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) |
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| recommendation for para-salicylic acid fragrance usage levels up to : |
| | not for fragrance use.
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| 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 ppm | average maximum ppm |
| baked goods : | 60.00000 | 360.00000 |
| beverages(nonalcoholic) : | 20.00000 | 100.00000 |
| beverages(alcoholic) : | 50.00000 | 300.00000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | 30.00000 | 200.00000 |
| fish products : | - | - |
| frozen dairy : | 50.00000 | 300.00000 |
| fruit ices : | 50.00000 | 300.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | - | - |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | 50.00000 | 300.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | 50.00000 | 300.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| 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 |
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| WGK Germany : | 1 |
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| | 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 :
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| | 4-hydroxybenzoic acid |
| fl. number : | 08.040 |
| jecfa number : | 957 |
| NIST Chemistry WebBook : | 99967 |
| pubchem : | 150542 |
Cosmetics :
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| Cosmetic uses : |
preservatives
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |