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| IUPAC name : | 3-methylbutyl dodecanoate |
| InChI : | InChI=1/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3 |
| InChIKey : | FVKRIDSRWFEQME-UHFFFAOYAF |
| SMILES : | CCCCCCCCCCCC(=O)OCCC(C)C |
| (EINECS) number : | 228-626-1 |
| cas number : | 6309-51-9 |
| fema number : | 2077 |
| coe number : | 379 |
| jecfa number : | 182 |
| fl. number : | 09.103 |
| molar refractivity : | 82.54 ± 0.3 cm3 |
| parachor : | 730.6 ± 4.0 cm3 |
| index of refraction : | 1.440 ± 0.02 |
| surface tension : | 29.6 ± 3.0 dyne/cm |
| density : | 0.864 ± 0.06 g/cm3 |
| polarizability : | 32.72 ± 0.5 10-24cm3 |
| xlogp : | 6.20 |
| molecular weight : | 270.4506600 |
| formula : | C17 H34 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.90.0000 |
| organoleptics : | |
| odor type : | waxy |
| odor strength : | medium |
odor description :
at 100.00 %. | wine waxy oily fatty peach |
| taste description³ : | at 10.00 ppm.
Fatty, creamy, good mouthfeel and body, over-ripe fruit |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85600 @ 25.00 °C.
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| refractive index : | 1.43600 @ 20.00 °C.
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| boiling point : | 311.00 - 312.00 °C. @ 760.00 mm Hg
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| logp : | 7.43 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for isoamyl laurate usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for isoamyl laurate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 228-626-1 |
| chemidplus : | 006309519 |
| epa-srs : | 6309-51-9 |
| dtp/nci : | 42577 |
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| other : | |
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| references : | |
| pubchem : | 197646 |
| NIST Chemistry WebBook : | 1430952205 |
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| reference : | Mosciano, Gerard P&F 24, No. 2, 49, (1999)³ |