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| IUPAC name : | ethyl 2-phenylfuran-3-carboxylate |
| InChI : | InChI=1/C13H12O3/c1-2-15-13(14)11-8-9-16-12(11)10-6-4-3-5-7-10/h3-9H,2H2,1H3 |
| InChIKey : | VMAQXZDICAYJMS-UHFFFAOYAM |
| SMILES : | CCOC(=O)C1=C(OC=C1)C2=CC=CC=C2 |
| cas number : | 50626-02-3 |
| (EINECS) number : | 256-663-3 |
| fema number : | 3468 |
| coe number : | 2309 |
| jecfa number : | 752 |
| fl. number : | 13.038 |
| molar refractivity : | 59.55 ± 0.3 cm3 |
| parachor : | 479.2 ± 4.0 cm3 |
| index of refraction : | 1.532 ± 0.02 |
| surface tension : | 38.8 ± 3.0 dyne/cm |
| density : | 1.126 ± 0.06 g/cm3 |
| polarizability : | 23.60 ± 0.5 10-24cm3 |
| XlogP : | 2.90 |
| molecular weight : | 216.2325800 |
| formula : | C13 H12 O3 |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.19.0000 |
| fda reg : | unspecified |
Suppliers :
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| Frutarom : | PHENYL OXAROMATE
≥99.00%, Kosher Odor: Cherry, Fruity |
| IFF : | Phenyl Oxaromate-681
≥99.00%, Kosher |
| Penta : | 2-phenyl-3-carbethoxyfuran
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description : at 100.00 %. | cherry fruity |
properties :
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| appearence : | pale yellow to gold clear liquid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.12000 to 1.13200 @ 20.00 °C.
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| pounds per gallon - calc. : | 9.330 to 9.430
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| refractive index : | 1.51500 to 1.52700 @ 20.00 °C.
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| boiling point : | 331.00 to 332.00 °C. @ 760.00 mm Hg
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| boiling point : | 148.00 to 154.00 °C. @ 6.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor density : | 7.4 ( Air = 1 ) |
| flash point : | 212.00 °F. TCC ( 100.00 °C. )
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| logP (o/w) : | 3.04 |
| shelf life : | 6.00 month(s) or longer if stored properly. |
| storage : | refrigerate in tightly sealed containers. |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. 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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 2.00 (μg/capita/day) |
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| recommendation for ethyl 2-phenyl-3-furoate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | ethyl 2-phenylfuran-3-carboxylate
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| (EINECS) number : | 256-663-3 |
| chemidplus : | 050626023 |
| EPA Substance Registry Services : | 50626-02-3 |
references :
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| | ethyl 2-phenylfuran-3-carboxylate
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| fl. number : | 13.038 |
| jecfa number : | 752 |
| pubchem : | 198469 |
other :
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