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| IUPAC name : | 3-methylbutyl 3-(furan-2-yl)propanoate |
| InChI : | InChI=1/C12H18O3/c1-10(2)7-9-15-12(13)6-5-11-4-3-8-14-11/h3-4,8,10H,5-7,9H2,1-2H3 |
| InChIKey : | ZVMWAVZRUZDYMV-UHFFFAOYAB |
| SMILES : | CC(C)CCOC(=O)CCC1=CC=CO1 |
| cas number : | 7779-67-1 |
| (EINECS) number : | 231-932-8 |
| fema number : | 2071 |
| coe number : | 2092 |
| jecfa number : | 1515 |
| fl. number : | 13.023 |
| molar refractivity : | 57.63 ± 0.3 cm3 |
| parachor : | 498.6 ± 4.0 cm3 |
| index of refraction : | 1.466 ± 0.02 |
| surface tension : | 33.0 ± 3.0 dyne/cm |
| density : | 1.011 ± 0.06 g/cm3 |
| polarizability : | 22.84 ± 0.5 10-24cm3 |
| XlogP : | 2.50 |
| XlogP3 : | 2.70 |
| molecular weight : | 210.2695200 (IUPAC) |
| formula : | C12 H18 O3 |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.19.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Nanjing : | isoamyl 3-(2-furan)propionate
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| Penta : | isoamyl 3-(2-furan) propionate
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| Sigma-Aldrich-SAFC : | Isoamyl 3-(2-furan)propionate
≥97% Odor: caramel; green; floral |
organoleptics :
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| odor type : | green |
| odor strength : | medium |
odor description : at 100.00 %. | sweet green floral fruity sour apple rose raisin caramel |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98700 to 0.99300 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.213 to 8.263
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| refractive index : | 1.54900 to 1.55700 @ 20.00 °C.
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| boiling point : | 258.00 °C. @ 760.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
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| logP (o/w) : | 3.36 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 23 - Do not breath vapour. 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.
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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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| recommendation for isoamyl 3-(2-furan) propionate usage levels up to : |
| | 0.7000 % in the fragrance concentrate.
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| recommendation for isoamyl 3-(2-furan) propionate usage levels up to : |
| | 10.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
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| WGK Germany : | 3 |
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| | 3-methylbutyl 3-(furan-2-yl)propanoate
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| (EINECS) number : | 231-932-8 |
| chemidplus : | 007779671 |
| EPA Substance Registry Services : | 7779-67-1 |
references :
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| | 3-methylbutyl 3-(furan-2-yl)propanoate
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| fl. number : | 13.023 |
| jecfa number : | 1515 |
| NIST Chemistry WebBook : | 7779671 |
| pubchem : | 39363861 |
other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |