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| IUPAC name : | phenyl 2-hydroxybenzoate |
| InChI : | InChI=1/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H |
| InChIKey : | ZQBAKBUEJOMQEX-UHFFFAOYAI |
| SMILES : | C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O |
| cas number : | 118-55-8 |
| (EINECS) number : | 204-259-2 |
| beilstein number : | 0393969 |
| fema number : | 3960 |
| coe number : | 11814 |
| jecfa number : | 736 |
| fl. number : | 09.689 |
| molar refractivity : | 59.77 ± 0.3 cm3 |
| parachor : | 459.6 ± 4.0 cm3 |
| index of refraction : | 1.615 ± 0.02 |
| surface tension : | 51.8 ± 3.0 dyne/cm |
| density : | 1.250 ± 0.06 g/cm3 |
| polarizability : | 23.69 ± 0.5 10-24cm3 |
| XlogP : | 4.10 |
| molecular weight : | 214.2167000 |
| formula : | C13 H10 O3 |
| BioActivity Analysis : | 91558 |
| NMR Predictor : | Predict |
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| export tariff code : | 2918.23.0000 |
| fda reg : | 177.1010 |
Suppliers :
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| Berje : | Phenyl Salicylate
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| Fleurchem : | phenyl salicylate
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| Penta : | phenyl salicylate
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| Sigma-Aldrich-SAFC : | Phenyl salicylate
≥99% |
organoleptics :
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| odor type : | balsamic |
| odor strength : | medium |
odor description : at 100.00 %. | mild sweet fruity balsam |
properties :
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| appearence : | colorless crystalline solid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 43.00 to 46.00 °C. @ 760.00 mm Hg
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| boiling point : | 172.00 to 173.00 °C. @ 12.00 mm Hg
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| boiling point : | 304.00 to 306.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 3.82 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Oral-Rat 3000.00 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 837, 1976.
Oral-Rabbit 3000.00 mg/kg Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895.
Intraperitoneal-Mouse >500.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 7.30 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 8.00 (μg/capita/day) |
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| recommendation for phenyl salicylate usage levels up to : |
| | not for fragrance use.
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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 |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | phenyl 2-hydroxybenzoate
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| (EINECS) number : | 204-259-2 |
| RTECS : | VO6125000 for 118-55-8 |
| chemidplus : | 000118558 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 118-55-8 |
| dtp/nci : | 33406 |
references :
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| | phenyl 2-hydroxybenzoate
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| fl. number : | 09.689 |
| jecfa number : | 736 |
| NIST Chemistry WebBook : | 3736686450 |
| pubchem : | 151507 |
Cosmetics :
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| Cosmetic uses : |
antimicrobial agents
denaturants
perfuming agents
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other :
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| CosIng : | cosmetic data |