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| IUPAC name : | 2-phenylethyl 2-hydroxybenzoate |
| InChI : | InChI=1/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2 |
| InChIKey : | YNMSDIQQNIRGDP-UHFFFAOYAX |
| SMILES : | C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2O |
| cas number : | 87-22-9 |
| (EINECS) number : | 201-732-5 |
| fema number : | 2868 |
| coe number : | 437 |
| jecfa number : | 905 |
| fl. number : | 09.753 |
| molar refractivity : | 69.02 ± 0.3 cm3 |
| parachor : | 539.0 ± 4.0 cm3 |
| index of refraction : | 1.595 ± 0.02 |
| surface tension : | 49.7 ± 3.0 dyne/cm |
| density : | 1.193 ± 0.06 g/cm3 |
| polarizability : | 27.36 ± 0.5 10-24cm3 |
| XlogP : | 4.40 |
| molecular weight : | 242.2698600 (IUPAC) |
| formula : | C15 H14 O3 |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| export tariff code : | 2918.23.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Berje : | Phenyl Ethyl Salicylate
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| IFF : | Phenyl Ethyl Salicylate
Odor: Balsamic, Floral, Rose Rosy character, very sweet but mild and balsamic. |
| Inoue : | PHENETHYL SALICYLATE
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| John D. Walsh : | Phenyl Ethyl Salicylate
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| Moellhausen : | phenylethyl salicylate
97% min. nature identical kosher Odor: medicinal, balsamic, slightly fruity-floral Flavor: medicinal, balsamic |
| Penta : | phenethyl salicylate
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| SAFC Global® : | Phenethyl salicylate
≥97%, Kosher Odor: balsam; carnation; hyacinth; rose |
organoleptics :
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| odor type : | floral |
| odor strength : | low |
odor description: at 100.00 %. | balsamic floral rose hyacinth carnation Luebke, William tgsc, (1982) |
| odor sample from : | Berje Inc. |
| substantivity : | 232 Hour(s) |
properties :
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| appearence : | white crystalline powder |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 39.00 to 41.00 °C. @ 760.00 mm Hg
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| boiling point : | 370.00 °C. @ 760.00 mm Hg
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| boiling point : | 190.00 °C. @ 5.00 mm Hg
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| congealing point : | 41.00 °C.
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| acid value : | 1.00 max. KOH/g
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| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
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| logP (o/w) : | 4.31 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | Xi N - Irritant, Dangerous for the environment. |
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R 36/38 - Irritating to skin and eyes. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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| Human experience : | 8 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
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Oral-Rat >5000.00 mg/kg (Moreno, 1973ab)
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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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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.12 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 4.00 (μg/capita/day) |
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| maximum skin levels for fine fragrances : |
| | 1.4900 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). (IFRA, 2002)
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| recommendation for phenethyl salicylate fragrance usage levels up to : |
| | 12.0000 % in the fragrance concentrate.
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| use level in formulae for use in cosmetics : |
| | 1.8827 %
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| dermal systemic exposure in cosmetic products : |
| | 0.0480 mg/kg/day (IFRA, 2002)
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| recommendation for phenethyl salicylate flavor usage levels up to : |
| | 15.0000 ppm in the flavor.
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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... |
| msds : | msds |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 3077 |
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| WGK Germany : | 2 |
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| | 2-phenylethyl 2-hydroxybenzoate |
| (EINECS) number : | 201-732-5 |
| chemidplus : | 000087229 |
| EPA Substance Registry Services : | 87-22-9 |
| dtp/nci : | 72035 |
references :
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| | 2-phenylethyl 2-hydroxybenzoate |
| fl. number : | 09.753 |
| jecfa number : | 905 |
| NIST Chemistry WebBook : | 518388908 |
| pubchem : | 203612 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| | C of A |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |