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| IUPAC name : | 5-methylhex-3-en-2-one |
| InChI : | InChI=1/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3 |
| InChIKey : | IYMKNYVCXUEFJE-UHFFFAOYAW |
| SMILES : | CC(C)C=CC(=O)C |
| (EINECS) number : | 225-950-5 |
| cas number : | 5166-53-0 |
| beilstein number : | 1720101 |
| fema number : | 3409 |
| coe number : | 11149 |
| jecfa number : | 1132 |
| fl. number : | 07.106 |
| molar refractivity : | 34.52 ± 0.3 cm3 |
| parachor : | 300.3 ± 4.0 cm3 |
| index of refraction : | 1.424 ± 0.02 |
| surface tension : | 24.3 ± 3.0 dyne/cm |
| density : | 0.829 ± 0.06 g/cm3 |
| polarizability : | 13.68 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 112.1695800 |
| formula : | C7 H12 O |
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| IUPAC name : | (E)-5-methylhex-3-en-2-one |
| InChI : | InChI=1/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+ |
| InChIKey : | IYMKNYVCXUEFJE-SNAWJCMRBY |
| SMILES : | CC(C)\C=C\C(=O)C |
| cas number : | 1821-29-0 |
| molar refractivity : | 34.52 ± 0.3 cm3 |
| parachor : | 300.3 ± 4.0 cm3 |
| index of refraction : | 1.424 ± 0.02 |
| surface tension : | 24.3 ± 3.0 dyne/cm |
| density : | 0.829 ± 0.06 g/cm3 |
| polarizability : | 13.68 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 112.1695800 |
| formula : | C7 H12 O |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet berry cheese |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.83600 - 0.84600 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.956 to 7.040
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| refractive index : | 1.44500 - 1.44500 @ 20.00 °C.
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| boiling point : | 77.00 °C. @ 50.00 mm Hg
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| logp : | 1.44 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 1680.00 ul/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 110.00 °F. TCC ( 43.33 °C. )
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| recommendation for filbert hexenone usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for filbert hexenone usage levels up to : |
| | 5.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 225-950-5 |
| chemidplus : | 005166530 |
| epa-srs : | 5166-53-0 |
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| chemidplus : | 001821290 |
| epa-srs : | 1821-29-0 |
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| other : | |
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| references : | |
| pubchem : | 164014 |
| NIST Chemistry WebBook : | 1554472697 |
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| pubchem : | 3728475 |
| NIST Chemistry WebBook : | 3207592968 |
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