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| IUPAC name : | propyl 2-hydroxybenzoate |
| InChI : | InChI=1/C10H12O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6,11H,2,7H2,1H3 |
| InChIKey : | LZFIOSVZIQOVFW-UHFFFAOYAA |
| SMILES : | CCCOC(=O)C1=CC=CC=C1O |
| cas number : | 607-90-9 |
| (EINECS) number : | 210-145-3 |
| molar refractivity : | 49.17 ± 0.3 cm3 |
| parachor : | 406.7 ± 4.0 cm3 |
| index of refraction : | 1.531 ± 0.02 |
| surface tension : | 43.0 ± 3.0 dyne/cm |
| density : | 1.134 ± 0.06 g/cm3 |
| polarizability : | 19.49 ± 0.5 10-24cm3 |
| XlogP : | 3.30 |
| molecular weight : | 180.2004800 |
| formula : | C10 H12 O3 |
| NMR Predictor : | Predict |
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| export tariff code : | 2918.23.0000 |
| fda reg : | unspecified |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | vine clover fruity plum |
properties :
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| appearence : | white to pale yellow solid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.09900 @ 15.00 °C.
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| melting point : | 96.00 to 97.00 °C. @ 760.00 mm Hg
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| boiling point : | 239.00 to 240.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.00055 mm/Hg @ 25.00 °C. |
| flash point : | 213.00 °F. TCC ( 100.56 °C. )
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| logP (o/w) : | 3.80 |
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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Not determined
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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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| recommendation for propyl salicylate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for propyl salicylate usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | propyl 2-hydroxybenzoate
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| (EINECS) number : | 210-145-3 |
| chemidplus : | 000607909 |
| EPA Substance Registry Services : | 607-90-9 |
| dtp/nci : | 8221 |
references :
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| | propyl 2-hydroxybenzoate
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| NIST Chemistry WebBook : | 3181268623 |
| pubchem : | 211254 |
other :
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