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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 |
| jecfa number : | 21 |
| fl. number : | 13.004 |
| molar refractivity : | 39.31 ± 0.3 cm3 |
| parachor : | 334.6 ± 4.0 cm3 |
| index of refraction : | 1.480 ± 0.02 |
| surface tension : | 34.3 ± 3.0 dyne/cm |
| density : | 1.100 ± 0.06 g/cm3 |
| polarizability : | 15.58 ± 0.5 10-24cm3 |
| XlogP : | 1.30 |
| XlogP3 : | 1.60 |
| molecular weight : | 152.1473200 (IUPAC) |
| formula : | C8 H8 O3 |
| BioActivity Analysis : | 81621 |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.19.0000 |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | Allyl 2-furoate
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| Penta : | allyl furoate
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| Pfaltz & Bauer : | Allyl Furoate
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| Sigma-Aldrich-SAFC : | 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 point : | 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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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl 2-furoate usage levels up to : |
| | not for fragrance use.
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| recommendation for allyl 2-furoate usage levels up to : |
| | 2.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| IFRA : | IFRA - ( Found under : Allyl esters ) |
| 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
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| (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
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| fl. number : | 13.004 |
| jecfa number : | 21 |
| NIST Chemistry WebBook : | 4208495 |
| pubchem : | 197604 |
other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |