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| IUPAC name : | 2-methylpropyl propanoate |
| InChI : | InChI=1/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey : | FZXRXKLUIMKDEL-UHFFFAOYAZ |
| SMILES : | CCC(=O)OCC(C)C |
| (EINECS) number : | 208-746-0 |
| eu annex : | 607-029-00-3 |
| cas number : | 540-42-1 |
| beilstein number : | 1745554 |
| fema number : | 2212 |
| coe number : | 406 |
| jecfa number : | 148 |
| fl. number : | 09.125 |
| molar refractivity : | 36.21 ± 0.3 cm3 |
| parachor : | 332.7 ± 4.0 cm3 |
| index of refraction : | 1.404 ± 0.02 |
| surface tension : | 25.5 ± 3.0 dyne/cm |
| density : | 0.879 ± 0.06 g/cm3 |
| polarizability : | 14.35 ± 0.5 10-24cm3 |
| xlogp : | 1.60 |
| molecular weight : | 130.1848600 |
| formula : | C7 H14 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 green ether sweet tutti frutti banana |
| taste description³ : | at 10.00 ppm.
Sweet, fruity, banana, tutti frutti, with rummy nuances |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86500 - 0.87100 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.198 to 7.248
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| refractive index : | 1.39700 - 1.40300 @ 20.00 °C.
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| melting point : | -71.00 - -70.00 °C. @ 760.00 mm Hg
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| boiling point : | 66.00 - 67.00 °C. @ 60.00 mm Hg
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| boiling point : | 137.00 - 138.00 °C. @ 760.00 mm Hg
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| logp : | 2.26 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rabbit 5599.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 12.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 80.00 °F. TCC ( 26.67 °C. )
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| recommendation for isobutyl propionate usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for isobutyl propionate usage levels up to : |
| | 35.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 208-746-0 |
| rtecs : | UF4930000 for 540-42-1 |
| chemidplus : | 000540421 |
| epa-srs : | 540-42-1 |
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| other : | |
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| references : | |
| pubchem : | 154198 |
| NIST Chemistry WebBook : | 156796445 |
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| reference : | Mosciano, Gerard P&F 24, No. 2, 49, (1999)³ |