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| IUPAC name : | 2-cyclohexyl-2,5,5-trimethyl-1,3-dioxane |
| InChI : | InChI=1/C13H18O2/c1-12(2)9-14-13(3,15-10-12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3 |
| InChIKey : | AALXTPRRKXUUOM-UHFFFAOYAM |
| SMILES : | CC1(COC(OC1)(C)C2=CC=CC=C2)C |
| (EINECS) number : | 226-466-7 |
| cas number : | 5406-58-6 |
| molar refractivity : | 60.03 ± 0.3 cm3 |
| parachor : | 509.5 ± 4.0 cm3 |
| index of refraction : | 1.484 ± 0.02 |
| surface tension : | 34.9 ± 3.0 dyne/cm |
| density : | 0.984 ± 0.06 g/cm3 |
| polarizability : | 23.80 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 206.2808200 |
| formula : | C13 H18 O2 |
| BioActivity Analysis : | 72988 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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| odor type : | woody |
| odor strength : | medium |
odor description : at 100.00 %. | woody sandalwood camphor methyl acetophenone sweet |
| substantivity : | 49 hour(s) at 100.00 % |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.08400 - 1.09300 @ 20.00 °C.
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| pounds per gallon - calc. : | 9.030 to 9.105
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| refractive index : | 1.43000 - 1.43500 @ 20.00 °C.
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| boiling point : | 63.00 - 65.00 °C. @ 3.00 mm Hg
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| logp : | 3.48 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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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 sandal glycol acetal usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for sandal glycol acetal usage levels up to : |
| | not for flavor use.
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safety links :
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| (EINECS) number : | 226-466-7 |
| chemidplus : | 005406586 |
| epa-srs : | 5406-58-6 |
| dtp/nci : | 7039 |
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other :
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references :
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| pubchem : | 656415 |
| NIST Chemistry WebBook : | 1990159391 |
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