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| IUPAC name : | benzyl 2-aminobenzoate |
| InChI : | InChI=1/C14H13NO2/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9H,10,15H2 |
| InChIKey : | ZHZPDMZPDWXVMJ-UHFFFAOYAO |
| SMILES : | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2N |
| cas number : | 82185-41-9 |
| (EINECS) number : | 279-911-2 |
| molar refractivity : | 66.74 ± 0.3 cm3 |
| parachor : | 510.1 ± 4.0 cm3 |
| index of refraction : | 1.618 ± 0.02 |
| surface tension : | 51.6 ± 3.0 dyne/cm |
| density : | 1.194 ± 0.06 g/cm3 |
| polarizability : | 26.46 ± 0.5 10-24cm3 |
| XlogP : | 3.30 |
| XlogP3 : | 3.40 |
| molecular weight : | 227.2585200 (IUPAC) |
| formula : | C14 H13 N O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2922.49.3800 |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | benzyl anthranilate
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organoleptics :
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| odor type : | citrus |
| odor strength : | medium |
odor description : at 100.00 %. | floral grapefruit lily |
properties :
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| appearence : | pale yellow to yellow clear liquid to solid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 76.00 to 78.00 °C. @ 760.00 mm Hg
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| boiling point : | 374.00 to 375.00 °C. @ 760.00 mm Hg
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| flash point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 3.81 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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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 benzyl anthranilate usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
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| WGK Germany : | 3 |
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| | benzyl 2-aminobenzoate
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| (EINECS) number : | 279-911-2 |
| chemidplus : | 082185419 |
| EPA Substance Registry Services : | 82185-41-9 |
references :
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| | benzyl 2-aminobenzoate
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| NIST Chemistry WebBook : | 2743428417 |
| pubchem : | 3888841 |
other :
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