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| IUPAC name : | prop-2-enyl 2-aminobenzoate |
| InChI : | InChI=1/C10H11NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2 |
| InChIKey : | UCANFCXAKYMFGA-UHFFFAOYAH |
| SMILES : | C=CCOC(=O)C1=CC=CC=C1N |
| cas number : | 7493-63-2 |
| (EINECS) number : | 231-331-0 |
| fema number : | 2020 |
| coe number : | 254 |
| jecfa number : | 20 |
| fl. number : | 09.719 |
| molar refractivity : | 51.25 ± 0.3 cm3 |
| parachor : | 406.5 ± 4.0 cm3 |
| index of refraction : | 1.563 ± 0.02 |
| surface tension : | 44.1 ± 3.0 dyne/cm |
| density : | 1.123 ± 0.06 g/cm3 |
| polarizability : | 20.31 ± 0.5 10-24cm3 |
| XlogP : | 2.20 |
| XlogP3 : | 2.50 |
| molecular weight : | 177.1998400 (IUPAC) |
| formula : | C10 H11 N O2 |
| BioActivity Analysis : | 429824 |
| NMR Predictor : | Predict |
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| export tariff code : | 2922.49.3800 |
| fda reg : | 172.515 |
Suppliers :
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| Nanjing : | benzoic acic,2-amino-,2-allyl ester
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| Penta : | allyl anthranilate
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| Sigma-Aldrich-SAFC : | Allyl anthranilate
≥98%, Kosher |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | green leaf floral grape |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.11000 to 1.12000 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.236 to 9.320
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| refractive index : | 1.56600 to 1.57600 @ 20.00 °C.
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| boiling point : | 105.00 °C. @ 2.00 mm Hg
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| flash point : | 230.00 °F. TCC ( 110.00 °C. )
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| logP (o/w) : | 2.87 |
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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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl anthranilate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for allyl anthranilate usage levels up to : |
| | 2.5000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| IFRA : | IFRA - ( Found under : Allyl esters ) |
| Chemical Carcinogenesis Research Information System : | Search |
| Env. Mutagen Info. Center : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | prop-2-enyl 2-aminobenzoate
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| (EINECS) number : | 231-331-0 |
| chemidplus : | 007493632 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 7493-63-2 |
| dtp/nci : | 147476 |
references :
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| | prop-2-enyl 2-aminobenzoate
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| fl. number : | 09.719 |
| jecfa number : | 20 |
| NIST Chemistry WebBook : | 3439953643 |
| pubchem : | 166639 |
other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |