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| IUPAC name : | octyl hexanoate |
| InChI : | InChI=1/C14H28O2/c1-3-5-7-8-9-11-13-16-14(15)12-10-6-4-2/h3-13H2,1-2H3 |
| InChIKey : | CMNMHJVRZHGAAK-UHFFFAOYAQ |
| SMILES : | CCCCCCCCOC(=O)CCCCC |
| (EINECS) number : | 225-499-4 |
| cas number : | 4887-30-3 |
| coe number : | 10865 |
| fl. number : | 09.677 |
| molar refractivity : | 68.68 ± 0.3 cm3 |
| parachor : | 613.8 ± 4.0 cm3 |
| index of refraction : | 1.435 ± 0.02 |
| surface tension : | 29.6 ± 3.0 dyne/cm |
| density : | 0.867 ± 0.06 g/cm3 |
| polarizability : | 27.22 ± 0.5 10-24cm3 |
| xlogp : | 5.80 |
| molecular weight : | 228.3709200 |
| formula : | C14 H28 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor strength : | medium |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85000 - 0.85600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.073 to 7.123
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| refractive index : | 1.42000 - 1.42600 @ 20.00 °C.
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| boiling point : | 274.00 - 275.00 °C. @ 760.00 mm Hg
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| logp : | 5.78 |
| 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) : | 0.71 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 248.00 °F. TCC ( 120.00 °C. )
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| recommendation for octyl hexanoate usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 225-499-4 |
| chemidplus : | 004887303 |
| epa-srs : | 4887-30-3 |
| dtp/nci : | 53816 |
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| other : | |
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| references : | |
| fl. number : | 09.677 |
| pubchem : | 163788 |
| NIST Chemistry WebBook : | 987634882 |
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