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| IUPAC name : | butyl heptanoate |
| InChI : | InChI=1/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3 |
| InChIKey : | YPQSPODHFDGVAC-UHFFFAOYAK |
| SMILES : | CCCCCCC(=O)OCCCC |
| (EINECS) number : | 226-707-6 |
| cas number : | 5454-28-4 |
| fema number : | 2199 |
| coe number : | 363 |
| jecfa number : | 169 |
| fl. number : | 09.091 |
| 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 |
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| fda reg : | 172.515 |
h. number : | 2915.90.0000 |
| organoleptics : | |
| odor type : | green |
| odor strength : | medium |
odor description :
at 100.00 %. | cut grass marigold herbal fruity apple |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86300 @ 25.00 °C.
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| refractive index : | 1.42280 @ 20.00 °C.
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| melting point : | -67.50 °C. @ 760.00 mm Hg
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| boiling point : | 226.00 - 227.00 °C. @ 760.00 mm Hg
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| logp : | 4.30 |
| 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) : | 0.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 188.00 °F. TCC ( 86.67 °C. )
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| recommendation for butyl heptanoate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for butyl heptanoate usage levels up to : |
| | 25.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 226-707-6 |
| chemidplus : | 005454284 |
| epa-srs : | 5454-28-4 |
| dtp/nci : | 23048 |
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| other : | |
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| references : | |
| pubchem : | 164331 |
| NIST Chemistry WebBook : | 4214001763 |
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