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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | octyl 2-phenylacetate |
| InChI : | InChI=1/C16H24O2/c1-2-3-4-5-6-10-13-18-16(17)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3 |
| InChIKey : | VGYPAVUJUMQTGE-UHFFFAOYAM |
| SMILES : | CCCCCCCCOC(=O)CC1=CC=CC=C1 |
| (EINECS) number : | 204-545-7 |
| cas number : | 122-45-2 |
| fema number : | 2812 |
| coe number : | 230 |
| jecfa number : | 1017 |
| fl. number : | 09.703 |
| molar refractivity : | 74.63 ± 0.3 cm3 |
| parachor : | 626.8 ± 4.0 cm3 |
| index of refraction : | 1.490 ± 0.02 |
| surface tension : | 34.9 ± 3.0 dyne/cm |
| density : | 0.963 ± 0.06 g/cm3 |
| polarizability : | 29.58 ± 0.5 10-24cm3 |
| xlogp : | 5.40 |
| molecular weight : | 248.3605600 |
| formula : | C16 H24 O2 |
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| fda reg : | 172.515 |
h. number : | 2916.35.1500 |
| organoleptics : | |
| odor type : | earthy |
| odor strength : | medium |
odor description :
at 100.00 %. | rooty orange basil bois de rose |
| properties : | |
| appearence : | colorless clear viscous liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 330.00 - 331.00 °C. @ 760.00 mm Hg
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| logp : | 5.69 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 230.00 °F. TCC ( 110.00 °C. )
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| recommendation for octyl phenyl acetate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for octyl phenyl acetate usage levels up to : |
| | 4.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 204-545-7 |
| chemidplus : | 000122452 |
| epa-srs : | 122-45-2 |
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| other : | |
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| references : | |
| pubchem : | 197287 |
| NIST Chemistry WebBook : | 3572321414 |
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