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| IUPAC name : | octan-3-yl acetate |
| InChI : | InChI=1/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3 |
| InChIKey : | STZUZYMKSMSTOU-UHFFFAOYAV |
| SMILES : | CCCCCC(CC)OC(=O)C |
| (EINECS) number : | 225-471-1 |
| cas number : | 4864-61-3 |
| fema number : | 3583 |
| coe number : | 2347 |
| jecfa number : | 313 |
| fl. number : | 09.254 |
| molar refractivity : | 50.11 ± 0.3 cm3 |
| parachor : | 452.1 ± 4.0 cm3 |
| index of refraction : | 1.421 ± 0.02 |
| surface tension : | 27.4 ± 3.0 dyne/cm |
| density : | 0.872 ± 0.06 g/cm3 |
| polarizability : | 19.86 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 172.2646000 |
| formula : | C10 H20 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium |
odor description :
at 100.00 %. | fresh bergamot woody green grapefruit rose apple mint |
| taste description³ : | at 10.00 ppm.
Green, oily and waxy with a weak minty and tropical nuance |
| substantivity : | 20 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.85600 - 0.86000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.123 to 7.156
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| refractive index : | 1.41400 - 1.41900 @ 20.00 °C.
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| boiling point : | 99.00 °C. @ 18.00 mm Hg
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| boiling point : | 191.00 - 192.00 °C. @ 760.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| logp : | 3.71 |
| 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) : | 0.61 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 157.00 °F. TCC ( 69.44 °C. )
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| recommendation for 3-octyl acetate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for 3-octyl acetate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 225-471-1 |
| chemidplus : | 4864-61-3 |
| epa-srs : | 4864-61-3 |
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| other : | |
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| references : | |
| pubchem : | 10523888 |
| NIST Chemistry WebBook : | 1620684920 |
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| reference : | Mosciano, Gerard P&F 21, No. 5, 49, (1996)³ |