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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| InChI : | InChI=1/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5+ |
| InChIKey : | XDEGQMQKHFPBEW-VMPITWQZBO |
| (EINECS) number : | 231-941-7 |
| cas number : | 7779-81-9 |
| fema number : | 2180 |
| coe number : | 247 |
| jecfa number : | 1213 |
| fl. number : | 09.408 |
| molar refractivity : | 45.37 ± 0.3 cm3 |
| parachor : | 395.7 ± 4.0 cm3 |
| index of refraction : | 1.433 ± 0.02 |
| surface tension : | 26.5 ± 3.0 dyne/cm |
| density : | 0.895 ± 0.06 g/cm3 |
| polarizability : | 17.98 ± 0.5 10-24cm3 |
| xlogp : | 2.30 |
| molecular weight : | 156.2221400 |
| formula : | C9 H16 O2 |
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| export tariff code : | 2916.19 |
| fda reg : | unspecified |
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Suppliers :
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| Sigma-Aldrich-SAFC : | Isobutyl angelate |
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organoleptics :
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| odor type : | spicy |
| odor strength : | medium |
odor description :
at 100.00 %. | herbal green spicy cooling woody caraway celery sweet |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87700 @ 25.00 °C.
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| refractive index : | 1.43400 @ 20.00 °C.
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| boiling point : | 176.00 - 177.00 °C. @ 760.00 mm Hg
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| logp : | 3.28 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 140.00 °F. TCC ( 60.00 °C. )
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| recommendation for isobutyl angelate usage levels up to : |
| | not for fragrance use.
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| recommendation for isobutyl angelate usage levels up to : |
| | 100.0000 ppm in the flavor.
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safety links :
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| (EINECS) number : | 231-941-7 |
| chemidplus : | 007779819 |
| epa-srs : | 7779-81-9 |
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| EPI System : | Click here |
other :
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references :
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| jecfa number : | 1213 |
| fl. number : | 09.408 |
| pubchem : | 204215 |
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