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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 |
| Molar Refractivity : | 51.25 ± 0.3 cm3 (est) |
| Parachor : | 406.5 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.563 ± 0.02 (est) |
| Surface Tension : | 44.1 ± 3.0 dyne/cm (est) |
| Density : | 1.123 ± 0.06 g/cm3 (est) |
| Polarizability : | 20.31 ± 0.5 10-24cm3 (est) |
| XlogP : | 2.20 (est) |
| XlogP3 : | 2.50 (est) |
| Molecular Weight : | 177.1998400 (IUPAC) (PT) (112) |
| Formula : | C10 H11 N O2 |
| NMR Predictor : | Predict |
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| Category : | flavor and fragrance agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | Allyl anthranilate.
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| Fl@vouring Number : | 09.719
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| FDA Mainterm : | ALLYL ANTHRANILATE. |
| FDA Regulation. : | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Suppliers :
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| Bedoukian Research : | ALLYL ANTHRANILATE
≥98.0%, Kosher Odor: A heliotropine creaminess with a grape dry down The tenacity of this material makes it a good choice for a fruity (grape) end note to a jasmine or tuberose blend. Flavor: grape Can be used in concord grape, cherry, apricot, peach, stone fruits, root beer, mint, spearmint and pineapple flavors for depth and body. |
| Nanjing : | benzoic acic,2-amino-,2-allyl ester
orders in chinese. |
| Penta : | allyl anthranilate
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| SAFC Global® : | 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 - est. : | 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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| Category : | flavor and fragrance agents |
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| IFRA Purity Specification : | < 0.1% free allyl alcohol |
| Recommendation for allyl anthranilate fragrance usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| Recommendation for allyl anthranilate flavor usage levels up to : |
| | 2.5000 ppm in the flavor.
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Safety References :
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| EPI System : | view |
| IFRA : | view standard |
| 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 |
| BioActivity Analysis : | 429824 |
| dtp/nci : | 147476 |
| (EINECS) Number : | 231-331-0 |
| Chemidplus : | 007493632 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 7493-63-2 |
References :
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| | prop-2-enyl 2-aminobenzoate |
| NIST Chemistry WebBook : | 3439953643 |
| Pubchem : | 166639 |
Other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |
| Export Tariff Code : | 2922.49.3800 |
| FMA : | listed |