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| IUPAC name : | pentyl heptanoate |
| InChI : | InChI=1/C12H24O2/c1-3-5-7-8-10-12(13)14-11-9-6-4-2/h3-11H2,1-2H3 |
| InChIKey : | PSQMUBJRXIGVIT-UHFFFAOYAM |
| SMILES : | CCCCCCC(=O)OCCCCC |
| (EINECS) number : | 231-342-0 |
| cas number : | 7493-82-5 |
| fema number : | 2073 |
| coe number : | 370 |
| jecfa number : | 170 |
| fl. number : | 09.098 |
| molar refractivity : | 59.41 ± 0.3 cm3 |
| parachor : | 534.3 ± 4.0 cm3 |
| index of refraction : | 1.429 ± 0.02 |
| surface tension : | 29.0 ± 3.0 dyne/cm |
| density : | 0.870 ± 0.06 g/cm3 |
| polarizability : | 23.55 ± 0.5 10-24cm3 |
| xlogp : | 4.70 |
| molecular weight : | 200.3177600 |
| formula : | C12 H24 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.90.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | ethereal fruity unripe banana coconut lemon |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85900 - 0.86300 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.148 to 7.181
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| refractive index : | 1.42200 - 1.42600 @ 20.00 °C.
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| melting point : | -57.10 - -49.50 °C. @ 760.00 mm Hg
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| boiling point : | 242.00 - 245.40 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.79 |
| 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) : | 0.61 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 162.00 °F. TCC ( 72.22 °C. )
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| recommendation for amyl heptanoate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for amyl heptanoate usage levels up to : |
| | 60.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 231-342-0 |
| chemidplus : | 007493825 |
| epa-srs : | 7493-82-5 |
| dtp/nci : | 46129 |
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| other : | |
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| references : | |
| pubchem : | 197672 |
| NIST Chemistry WebBook : | 2629976237 |
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