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| IUPAC name : | propan-2-yl propanoate |
| InChI : | InChI=1/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3 |
| InChIKey : | IJMWOMHMDSDKGK-UHFFFAOYAJ |
| SMILES : | CCC(=O)OC(C)C |
| (EINECS) number : | 211-300-8 |
| eu annex : | 607-257-00-3 |
| cas number : | 637-78-5 |
| fema number : | 2959 |
| coe number : | 404 |
| jecfa number : | 306 |
| fl. number : | 09.123 |
| molar refractivity : | 31.57 ± 0.3 cm3 |
| parachor : | 292.9 ± 4.0 cm3 |
| index of refraction : | 1.395 ± 0.02 |
| surface tension : | 24.6 ± 3.0 dyne/cm |
| density : | 0.883 ± 0.06 g/cm3 |
| polarizability : | 12.51 ± 0.5 10-24cm3 |
| xlogp : | 1.40 |
| molecular weight : | 116.1582800 |
| formula : | C6 H12 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.50.3000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity ether sweet pineapple banana |
| taste description³ : | at 20.00 ppm.
Fruity, berry with a slight bubble gum nuance |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86600 @ 20.00 °C.
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| refractive index : | 1.38700 @ 20.00 °C.
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| boiling point : | 108.00 - 110.00 °C. @ 760.00 mm Hg
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| logp : | 1.77 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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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) : | 0.012 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 62.00 °F. TCC ( 16.67 °C. )
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| recommendation for isopropyl propionate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for isopropyl propionate usage levels up to : |
| | 50.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 211-300-8 |
| chemidplus : | 000637785 |
| epa-srs : | 637-78-5 |
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| other : | |
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| references : | |
| pubchem : | 155830 |
| NIST Chemistry WebBook : | 3521801393 |
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| reference : | Mosciano, Gerard P&F 16, No. 1, 31, (1991)³ |