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| IUPAC name : | hexyl propanoate |
| InChI : | InChI=1/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3 |
| InChIKey : | GOKKOFHHJFGZHW-UHFFFAOYAK |
| SMILES : | CCCCCCOC(=O)CC |
| (EINECS) number : | 219-495-1 |
| cas number : | 2445-76-3 |
| beilstein number : | 1752269 |
| fema number : | 2576 |
| coe number : | 420 |
| jecfa number : | 144 |
| fl. number : | 09.139 |
| molar refractivity : | 45.51 ± 0.3 cm3 |
| parachor : | 414.9 ± 4.0 cm3 |
| index of refraction : | 1.418 ± 0.02 |
| surface tension : | 27.8 ± 3.0 dyne/cm |
| density : | 0.876 ± 0.06 g/cm3 |
| polarizability : | 18.04 ± 0.5 10-24cm3 |
| xlogp : | 3.00 |
| molecular weight : | 158.2380200 |
| formula : | C9 H18 O2 |
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| fda reg : | unspecified |
h. number : | 2915.50.3000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | pear green fruity musty rotting fruit |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87100 @ 25.00 °C.
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| refractive index : | 1.41000 @ 20.00 °C.
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| boiling point : | 73.00 - 74.00 °C. @ 10.00 mm Hg
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| boiling point : | 180.00 °C. @ 760.00 mm Hg
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| logp : | 3.32 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 5.70 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 149.00 °F. TCC ( 65.00 °C. )
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| recommendation for hexyl propionate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for hexyl propionate usage levels up to : |
| | 25.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 219-495-1 |
| rtecs : | UA2462200 for 2445-76-3 |
| chemidplus : | 002445763 |
| epa-srs : | 2445-76-3 |
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| other : | |
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| references : | |
| jecfa number : | 144 |
| fl. number : | 09.139 |
| pubchem : | 203857 |
| NIST Chemistry WebBook : | 3134363974 |
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