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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 |
| (EINECS) number : | 256-663-3 |
| cas number : | 50626-02-3 |
| 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 |
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| export tariff code : | 2932.19.0000 |
| fda reg : | unspecified |
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Suppliers :
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| International Flavors & Fragrances : | Phenyl Oxaromate-681 |
| | ≥99.00%, Kosher |
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| Oxford Chemicals Ltd : | PHENYL OXAROMATE |
| | ≥99.00%, Kosher |
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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 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.56800 - 1.57300 @ 20.00 °C.
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| pounds per gallon - calc. : | 13.063 to 13.104
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| refractive index : | 1.14500 - 1.15100 @ 20.00 °C.
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| boiling point : | 331.00 - 332.00 °C. @ 760.00 mm Hg
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| boiling point : | 148.00 - 154.00 °C. @ 6.00 mm Hg
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| logp : | 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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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.012 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 212.00 °F. TCC ( 100.00 °C. )
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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 links :
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| (EINECS) number : | 256-663-3 |
| chemidplus : | 050626023 |
| epa-srs : | 50626-02-3 |
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other :
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references :
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| jecfa number : | 752 |
| fl. number : | 13.038 |
| pubchem : | 198469 |
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