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| IUPAC name : | hexyl formate |
| InChI : | InChI=1/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3 |
| InChIKey : | OUGPMNMLWKSBRI-UHFFFAOYAA |
| SMILES : | CCCCCCOC=O |
| (EINECS) number : | 211-087-1 |
| cas number : | 629-33-4 |
| beilstein number : | 1701629 |
| fema number : | 2570 |
| coe number : | 499 |
| jecfa number : | 120 |
| fl. number : | 09.161 |
| molar refractivity : | 36.41 ± 0.3 cm3 |
| parachor : | 339.1 ± 4.0 cm3 |
| index of refraction : | 1.407 ± 0.02 |
| surface tension : | 27.7 ± 3.0 dyne/cm |
| density : | 0.881 ± 0.06 g/cm3 |
| polarizability : | 14.43 ± 0.5 10-24cm3 |
| xlogp : | 2.50 |
| molecular weight : | 130.1848600 |
| formula : | C7 H14 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.13.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | apple unripe plum or banana sweet |
| substantivity : | 4 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87900 @ 25.00 °C.
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| melting point : | -63.00 °C. @ 760.00 mm Hg
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| boiling point : | 155.00 - 156.00 °C. @ 760.00 mm Hg
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| logp : | 2.28 |
| 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) : | 8.70 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 118.00 °F. TCC ( 47.78 °C. )
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| recommendation for hexyl formate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for hexyl formate usage levels up to : |
| | 60.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 211-087-1 |
| rtecs : | LQ8595000 for 629-33-4 |
| chemidplus : | 000629334 |
| epa-srs : | 629-33-4 |
| dtp/nci : | 4780 |
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| other : | |
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| references : | |
| pubchem : | 197437 |
| NIST Chemistry WebBook : | 1507783120 |
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