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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 2-butyl-4,4,6-trimethyl-1,3-dioxane |
| InChI : | InChI=1/C11H22O2/c1-5-6-7-10-12-9(2)8-11(3,4)13-10/h9-10H,5-8H2,1-4H3 |
| InChIKey : | QUBNQDBPPTZYJL-UHFFFAOYAN |
| SMILES : | CCCCC1OC(CC(O1)(C)C)C |
| (EINECS) number : | 259-210-8 |
| cas number : | 54546-26-8 |
| molar refractivity : | 54.27 ± 0.3 cm3 |
| parachor : | 495.4 ± 4.0 cm3 |
| index of refraction : | 1.413 ± 0.02 |
| surface tension : | 26.9 ± 3.0 dyne/cm |
| density : | 0.856 ± 0.06 g/cm3 |
| polarizability : | 21.51 ± 0.5 10-24cm3 |
| xlogp : | 3.40 |
| molecular weight : | 186.2911800 |
| formula : | C11 H22 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium |
odor description :
at 100.00 %. | herbal spice chamomile green basil |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88600 - 8.90000 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.381 to 74.143
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| refractive index : | 1.42700 - 1.43100 @ 20.00 °C.
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| boiling point : | 206.00 - 207.00 °C. @ 760.00 mm Hg
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| logp : | 3.17 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | 166.00 °F. TCC ( 74.44 °C. )
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| recommendation for herbal acetal usage levels up to : |
| | 30.0000 % in the fragrance concentrate.
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| recommendation for herbal acetal usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 259-210-8 |
| chemidplus : | 054546268 |
| epa-srs : | 54546-26-8 |
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| other : | |
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| references : | |
| pubchem : | 671680 |
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