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| IUPAC name : | propan-2-yl 3-methylbutanoate |
| InChI : | InChI=1/C8H16O2/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3 |
| InChIKey : | ZOIRKXLFEHOVER-UHFFFAOYAJ |
| SMILES : | CC(C)CC(=O)OC(C)C |
| (EINECS) number : | 251-145-3 |
| cas number : | 32665-23-9 |
| fema number : | 2961 |
| coe number : | 445 |
| jecfa number : | 310 |
| fl. number : | 09.450 |
| molar refractivity : | 40.80 ± 0.3 cm3 |
| parachor : | 369.9 ± 4.0 cm3 |
| index of refraction : | 1.409 ± 0.02 |
| surface tension : | 25.3 ± 3.0 dyne/cm |
| density : | 0.874 ± 0.06 g/cm3 |
| polarizability : | 16.17 ± 0.5 10-24cm3 |
| xlogp : | 2.50 |
| molecular weight : | 144.2114400 |
| formula : | C8 H16 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 %. | apple pineapple fruity |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.84700 @ 20.00 °C.
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| refractive index : | 1.39600 @ 20.00 °C.
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| boiling point : | 142.00 °C. @ 760.00 mm Hg
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| boiling point : | 68.00 - 70.00 °C. @ 55.00 mm Hg
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| logp : | 2.68 |
| 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) : | 0.24 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 87.00 °F. TCC ( 30.56 °C. )
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| recommendation for isopropyl isovalerate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for isopropyl isovalerate usage levels up to : |
| | 15.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 251-145-3 |
| chemidplus : | 032665239 |
| epa-srs : | 32665-23-9 |
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| other : | |
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| references : | |
| pubchem : | 198313 |
| NIST Chemistry WebBook : | 2152232473 |
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