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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | [(5E)-2,6-dimethylocta-5,7-dien-2-yl] acetate |
| InChI : | InChI=1/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6,8H,1,7,9H2,2-5H3/b10-8+ |
| InChIKey : | JAVBVYXSVDXAQK-CSKARUKUBL |
| SMILES : | C/C(=C\CCC(C)(C)OC(=O)C)/C=C |
| (EINECS) number : | 276-484-4 |
| cas number : | 72214-23-4 |
| molar refractivity : | 59.00 ± 0.3 cm3 |
| parachor : | 501.7 ± 4.0 cm3 |
| index of refraction : | 1.452 ± 0.02 |
| surface tension : | 27.7 ± 3.0 dyne/cm |
| density : | 0.897 ± 0.06 g/cm3 |
| polarizability : | 23.39 ± 0.5 10-24cm3 |
| xlogp : | 3.70 |
| molecular weight : | 196.2860000 |
| formula : | C12 H20 O2 |
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| fda reg : | unspecified |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium |
odor description :
at 100.00 %. | citrus lavender cologne bergamot floral |
| substantivity : | 12 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90700 - 0.91400 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.547 to 7.605
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| specific gravity : | 0.90800 - 0.91500 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.564 to 7.623
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| refractive index : | 1.46500 - 1.47000 @ 20.00 °C.
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| boiling point : | 220.00 - 221.00 °C. @ 760.00 mm Hg
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| logp : | 3.44 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 197.00 °F. TCC ( 91.67 °C. )
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| recommendation for ocimen-1-yl acetate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for ocimen-1-yl acetate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 276-484-4 |
| chemidplus : | 072214234 |
| epa-srs : | 72214-23-4 |
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| other : | |
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| references : | |
| pubchem : | 743706 |
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