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| IUPAC name : | 2-cyclohexyl-5-methylhex-2-enal |
| InChI : | InChI=1/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3 |
| InChIKey : | YURDCJXYOLERLO-UHFFFAOYAK |
| SMILES : | CC(C)CC=C(C=O)C1=CC=CC=C1 |
| (EINECS) number : | 244-602-3 |
| cas number : | 21834-92-4 |
| fema number : | 3199 |
| coe number : | 10365 |
| jecfa number : | 1472 |
| fl. number : | 05.099 |
| molar refractivity : | 59.46 ± 0.3 cm3 |
| parachor : | 475.9 ± 4.0 cm3 |
| index of refraction : | 1.514 ± 0.02 |
| surface tension : | 33.7 ± 3.0 dyne/cm |
| density : | 0.953 ± 0.06 g/cm3 |
| polarizability : | 23.57 ± 0.5 10-24cm3 |
| xlogp : | 4.20 |
| molecular weight : | 188.2655400 |
| formula : | C13 H16 O |
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| IUPAC name : | (E)-2-cyclohexyl-5-methylhex-2-enal |
| InChI : | InChI=1/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3/b13-9- |
| InChIKey : | YURDCJXYOLERLO-LCYFTJDEBO |
| SMILES : | CC(C)C\C=C(\C=O)/C1=CC=CC=C1 |
| cas number : | 21834-92-4 |
| molar refractivity : | 59.46 ± 0.3 cm3 |
| parachor : | 475.9 ± 4.0 cm3 |
| index of refraction : | 1.514 ± 0.02 |
| surface tension : | 33.7 ± 3.0 dyne/cm |
| density : | 0.953 ± 0.06 g/cm3 |
| polarizability : | 23.57 ± 0.5 10-24cm3 |
| xlogp : | 4.20 |
| molecular weight : | 188.2655400 |
| formula : | C13 H16 O |
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| IUPAC name : | (Z)-2-cyclohexyl-5-methylhex-2-enal |
| InChI : | InChI=1/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3/b13-9+ |
| InChIKey : | YURDCJXYOLERLO-UKTHLTGXBA |
| SMILES : | CC(C)C\C=C(/C=O)\C1=CC=CC=C1 |
| cas number : | 21834-92-4 |
| molar refractivity : | 59.46 ± 0.3 cm3 |
| parachor : | 475.9 ± 4.0 cm3 |
| index of refraction : | 1.514 ± 0.02 |
| surface tension : | 33.7 ± 3.0 dyne/cm |
| density : | 0.953 ± 0.06 g/cm3 |
| polarizability : | 23.57 ± 0.5 10-24cm3 |
| xlogp : | 4.20 |
| molecular weight : | 188.2655400 |
| formula : | C13 H16 O |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | chocolate |
| odor strength : | medium |
odor description :
at 100.00 %. | cocoa filbert potato chip peanut green |
| properties : | |
| appearence : | colorless to yellow clear liquid |
| assay : | 96.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.96800 - 0.97800 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.055 to 8.138
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| refractive index : | 1.52800 - 1.53700 @ 20.00 °C.
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| boiling point : | 96.00 - 100.00 °C. @ 0.70 mm Hg
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| boiling point : | 290.00 - 291.00 °C. @ 760.00 mm Hg
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| acid value : | 10.00 max. KOH/g
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| logp : | 4.09 |
| 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 cocoa hexenal usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for cocoa hexenal usage levels up to : |
| | 25.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 244-602-3 |
| chemidplus : | 021834924 |
| epa-srs : | 21834-92-4 |
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| chemidplus : | 21834-92-4 |
| epa-srs : | 21834-92-4 |
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| chemidplus : | 21834-92-4 |
| epa-srs : | 21834-92-4 |
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| other : | |
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| references : | |
| jecfa number : | 1472 |
| fl. number : | 05.099 |
| pubchem : | 204700 |
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| pubchem : | 10513803 |
| NIST Chemistry WebBook : | 3219534498 |
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| pubchem : | 39460525 |
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