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| IUPAC name : | 2-phenylethyl hexanoate |
| InChI : | InChI=1/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3 |
| InChIKey : | InChI=1/C14H20O2/c1-2-3-5-10-1 |
| SMILES : | CCCCCC(=O)OCCC1=CC=CC=C1 |
| (EINECS) number : | 228-538-3 |
| cas number : | 6290-37-5 |
| fema number : | 3221 |
| coe number : | 10882 |
| jecfa number : | 995 |
| fl. number : | 09.261 |
| molar refractivity : | 65.37 ± 0.3 cm3 |
| parachor : | 547.3 ± 4.0 cm3 |
| index of refraction : | 1.493 ± 0.02 |
| surface tension : | 35.1 ± 3.0 dyne/cm |
| density : | 0.980 ± 0.06 g/cm3 |
| polarizability : | 25.91 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 220.3074000 |
| formula : | C14 H20 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet honey floral waxy woody sweaty green banana pineapple |
| taste description³ : | at 50.00 ppm.
Sweet, waxy, floral with fruity notes |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97100 @ 25.00 °C.
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| logp : | 4.42 |
| safety : | |
| 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 phenethyl hexanoate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for phenethyl hexanoate usage levels up to : |
| | 50.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 228-538-3 |
| chemidplus : | 006290375 |
| epa-srs : | 6290-37-5 |
| dtp/nci : | 6651 |
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| other : | |
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| references : | |
| pubchem : | 197644 |
| NIST Chemistry WebBook : | 1453777961 |
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| reference : | Mosciano, Gerard P&F 15, No. 1, 19, (1990)³ |