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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | nonyl 3-methylbutanoate |
| InChI : | InChI=1/C14H28O2/c1-4-5-6-7-8-9-10-11-16-14(15)12-13(2)3/h13H,4-12H2,1-3H3 |
| InChIKey : | JHKZVDVMXZGMOX-UHFFFAOYAY |
| SMILES : | CCCCCCCCCOC(=O)CC(C)C |
| (EINECS) number : | 232-098-8 |
| cas number : | 7786-47-2 |
| fema number : | 2791 |
| coe number : | 447 |
| jecfa number : | 201 |
| fl. number : | 09.452 |
| molar refractivity : | 68.64 ± 0.3 cm3 |
| parachor : | 611.2 ± 4.0 cm3 |
| index of refraction : | 1.434 ± 0.02 |
| surface tension : | 28.9 ± 3.0 dyne/cm |
| density : | 0.866 ± 0.06 g/cm3 |
| polarizability : | 27.21 ± 0.5 10-24cm3 |
| xlogp : | 5.80 |
| molecular weight : | 228.3709200 |
| formula : | C14 H28 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity apple hazelnut citrus |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 264.00 °C. @ 760.00 mm Hg
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| logp : | 5.84 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 0.01 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 239.00 °F. TCC ( 115.00 °C. )
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| recommendation for nonyl isovalerate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for nonyl isovalerate usage levels up to : |
| | 2.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 232-098-8 |
| chemidplus : | 007786472 |
| epa-srs : | 7786-47-2 |
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| other : | |
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| references : | |
| pubchem : | 204236 |
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