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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 2-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-2-enal |
| InChI : | InChI=1/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h6-7,10,13H,5,8-9H2,1-4H3 |
| InChIKey : | JJHZLPJQTHPGEI-UHFFFAOYAN |
| SMILES : | CC1=CCCC(C1CC=C(C)C=O)(C)C |
| (EINECS) number : | 271-439-5 |
| cas number : | 68555-62-4 |
| molar refractivity : | 64.61 ± 0.3 cm3 |
| parachor : | 532.1 ± 6.0 cm3 |
| index of refraction : | 1.464 ± 0.02 |
| surface tension : | 26.7 ± 3.0 dyne/cm |
| density : | 0.881 ± 0.06 g/cm3 |
| polarizability : | 25.61 ± 0.5 10-24cm3 |
| xlogp : | 4.50 |
| molecular weight : | 206.3238800 |
| formula : | C14 H22 O |
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| IUPAC name : | (E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-2-enal |
| InChI : | InChI=1/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h6-7,10,13H,5,8-9H2,1-4H3/b11-7+ |
| InChIKey : | JJHZLPJQTHPGEI-YRNVUSSQBH |
| SMILES : | CC1=CCCC(C1C\C=C(/C)\C=O)(C)C |
| (EINECS) number : | 271-439-5 |
| cas number : | 68555-62-4 |
| molar refractivity : | 64.61 ± 0.3 cm3 |
| parachor : | 532.1 ± 6.0 cm3 |
| index of refraction : | 1.464 ± 0.02 |
| surface tension : | 26.7 ± 3.0 dyne/cm |
| density : | 0.881 ± 0.06 g/cm3 |
| polarizability : | 25.61 ± 0.5 10-24cm3 |
| xlogp : | 4.50 |
| molecular weight : | 206.3238800 |
| formula : | C14 H22 O |
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| fda reg : | unspecified |
h. number : | 2912.29.60 |
| organoleptics : | |
| odor type : | tobacco |
| odor strength : | medium |
odor description :
at 100.00 %. | dry sweet tobacco nutty violet |
| substantivity : | 276 Hour(s) |
| properties : | |
| appearence : | pale yellow clear viscous liquid |
| assay : | 90.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.93600 - 0.94300 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.788 to 7.847
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| refractive index : | 1.50400 - 1.51100 @ 20.00 °C.
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| boiling point : | 105.00 °C. @ 1.00 mm Hg
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| logp : | 4.85 |
| safety : | |
| 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. ) : | 230.00 °F. TCC ( 110.00 °C. )
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| recommendation for tobacco butenal usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for tobacco butenal usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 271-439-5 |
| chemidplus : | 68555-62-4 |
| epa-srs : | 68555-62-4 |
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| (EINECS) number : | 271-439-5 |
| chemidplus : | 068555624 |
| epa-srs : | 68555-62-4 |
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| other : | |
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| references : | |
| pubchem : | 10532713 |
| NIST Chemistry WebBook : | 855917426 |
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| pubchem : | 686817 |
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