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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | ethyl 6-acetyloxyhexanoate |
| InChI : | InChI=1/C10H18O4/c1-3-13-10(12)7-5-4-6-8-14-9(2)11/h3-8H2,1-2H3 |
| InChIKey : | ODGMPRNNVXITJQ-UHFFFAOYAS |
| SMILES : | CCOC(=O)CCCCCOC(=O)C |
| cas number : | 104986-28-9 |
| molar refractivity : | 51.92 ± 0.3 cm3 |
| parachor : | 479.4 ± 4.0 cm3 |
| index of refraction : | 1.431 ± 0.02 |
| surface tension : | 32.6 ± 3.0 dyne/cm |
| density : | 1.008 ± 0.06 g/cm3 |
| polarizability : | 20.58 ± 0.5 10-24cm3 |
| xlogp : | 1.60 |
| molecular weight : | 202.2475200 |
| formula : | C10 H18 O4 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity floral anisic fresh raspberry jasmin |
| substantivity : | 24 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.00500 - 1.00900 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.363 to 8.396
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| refractive index : | 1.42600 - 1.43000 @ 20.00 °C.
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| boiling point : | 252.00 - 253.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.00 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 5044.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| recommendation for berry hexanoate usage levels up to : |
| | 25.0000 % in the fragrance concentrate.
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| recommendation for berry hexanoate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| msds : | msds |
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| chemidplus : | 104986289 |
| epa-srs : | 104986-28-9 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 690793 |
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