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| IUPAC Name - | prop-2-enyl furan-2-carboxylate |
| InChI - | InChI=1/C8H8O3/c1-2-5-11-8(9)7-4-3-6-10-7/h2-4,6H,1,5H2 |
| InChIKey - | SJRQTHAMRUOPBJ-UHFFFAOYAT |
| SMILES - | C=CCOC(=O)C1=CC=CO1 |
| CAS Number : | 4208-49-5 |
| (EINECS) Number : | 224-128-3 |
| FEMA Number : | 2030 |
| COE Number : | 360 |
| Molar Refractivity : | 39.31 ± 0.3 cm3 (est) |
| Parachor : | 334.6 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.480 ± 0.02 (est) |
| Surface Tension : | 34.3 ± 3.0 dyne/cm (est) |
| Density : | 1.100 ± 0.06 g/cm3 (est) |
| Polarizability : | 15.58 ± 0.5 10-24cm3 (est) |
| XlogP : | 1.30 (est) |
| XlogP3 : | 1.60 (est) |
| Molecular Weight : | 152.1473200 (IUPAC) (PT) (112) |
| Formula : | C8 H8 O3 |
| NMR Predictor : | Predict |
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| Category : | flavoring agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | Allyl 2-furoate.
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| Fl@vouring Number : | 13.004
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| FDA Mainterm : | ALLYL 2-FUROATE. |
Suppliers :
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| Nanjing : | Allyl 2-furoate
orders in chinese. |
| Penta : | allyl furoate
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| Pfaltz & Bauer : | Allyl Furoate
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| SAFC Global® : | Allyl 2-furoate
≥98% Odor: caramel; fruity |
Organoleptics :
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| Odor Type : | caramellic |
| Odor Strength : | medium |
Odor Description: at 100.00 %. | caramel fruity jam |
Properties :
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| Appearence : | colorless to yellow clear liquid |
| Assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| Specific Gravity : | 1.18100 @ 25.00 °C.
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| Refractive Index : | 1.49300 to 1.49700 @ 20.00 °C.
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| Boiling Point : | 206.00 to 209.00 °C. @ 760.00 mm Hg
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| Flash Ppoint : | 205.00 °F. TCC ( 96.11 °C. )
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| logP (o/w) : | 1.80 |
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 - 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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| Category : | flavoring agents |
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| IFRA Purity Specification : | < 0.1% free allyl alcohol |
| Recommendation for allyl 2-furoate fragrance usage levels up to : |
| | not for fragrance use.
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| Recommendation for allyl 2-furoate flavor usage levels up to : |
| | 2.0000 ppm in the flavor.
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Safety References :
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| EPI System : | view |
| IFRA : | view standard |
| Env. Mutagen Info. Center : | 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 furan-2-carboxylate |
| BioActivity Analysis : | 81621 |
| (EINECS) Number : | 224-128-3 |
| Chemidplus : | 004208495 |
| EPA Substance Registry Services : | 4208-49-5 |
| dtp/nci : | 18604 |
References :
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| | prop-2-enyl furan-2-carboxylate |
| NIST Chemistry WebBook : | 4208495 |
| Pubchem : | 197604 |
Other :
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| Export Tariff Code : | 2932.19.0000 |
| FDA Everything Added to Food in the United States (EAFUS) | View |