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| IUPAC name : | octyl propanoate |
| InChI : | InChI=1/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h3-10H2,1-2H3 |
| InChIKey : | CEQGYPPMTKWBIU-UHFFFAOYAZ |
| SMILES : | CCCCCCCCOC(=O)CC |
| (EINECS) number : | 205-548-6 |
| cas number : | 142-60-9 |
| fema number : | 2813 |
| coe number : | 407 |
| jecfa number : | 145 |
| fl. number : | 09.126 |
| molar refractivity : | 54.78 ± 0.3 cm3 |
| parachor : | 494.5 ± 4.0 cm3 |
| index of refraction : | 1.426 ± 0.02 |
| surface tension : | 28.7 ± 3.0 dyne/cm |
| density : | 0.872 ± 0.06 g/cm3 |
| polarizability : | 21.71 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 186.2911800 |
| formula : | C11 H22 O2 |
| BioActivity Analysis : | 448702 |
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| export tariff code : | 2915.50.3000 |
| fda reg : | unspecified |
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Suppliers :
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| Cargill - Alfrebro : | n-OCTYL PROPIONATE |
| | natural, Kosher |
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| Fleurchem : | 1-octyl propionate |
| | natural |
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| Sigma-Aldrich-SAFC : | Octyl propionate |
| | ≥99%, Kosher |
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description : at 100.00 %. | sweet fruity mushroom floral raspberry jammy green |
properties :
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| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86600 @ 25.00 °C.
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| boiling point : | 228.00 °C. @ 760.00 mm Hg
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| logp : | 4.30 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 210.00 °F. TCC ( 98.89 °C. )
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| recommendation for octyl propionate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for octyl propionate usage levels up to : |
| | 10.0000 ppm in the flavor.
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safety links :
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| (EINECS) number : | 205-548-6 |
| chemidplus : | 000142609 |
| epa-srs : | 142-60-9 |
| dtp/nci : | 190978 |
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other :
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references :
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| jecfa number : | 145 |
| fl. number : | 09.126 |
| pubchem : | 197336 |
| NIST Chemistry WebBook : | 4286716192 |
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