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| IUPAC name : | (3E)-6-methylhepta-3,5-dien-2-one |
| InChI : | InChI=1/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3/b6-4+ |
| InChIKey : | KSKXSFZGARKWOW-GQCTYLIABO |
| SMILES : | CC(=C\C=C\C(=O)C)C |
| (EINECS) number : | 216-507-7 |
| cas number : | 1604-28-0 |
| fema number : | 3363 |
| coe number : | 11143 |
| jecfa number : | 1134 |
| fl. number : | 07.099 |
| molar refractivity : | 39.09 ± 0.3 cm3 |
| parachor : | 326.1 ± 4.0 cm3 |
| index of refraction : | 1.452 ± 0.02 |
| surface tension : | 25.7 ± 3.0 dyne/cm |
| density : | 0.857 ± 0.06 g/cm3 |
| polarizability : | 15.50 ± 0.5 10-24cm3 |
| xlogp : | 1.70 |
| molecular weight : | 124.1802800 |
| formula : | C8 H12 O |
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| IUPAC name : | (3Z)-6-methylhepta-3,5-dien-2-one |
| InChI : | InChI=1/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3/b6-4- |
| InChIKey : | KSKXSFZGARKWOW-XQRVVYSFBZ |
| cas number : | 1604-28-0 |
| fema number : | 3363 |
| molar refractivity : | 39.09 ± 0.3 cm3 |
| parachor : | 326.1 ± 4.0 cm3 |
| index of refraction : | 1.452 ± 0.02 |
| surface tension : | 25.7 ± 3.0 dyne/cm |
| density : | 0.857 ± 0.06 g/cm3 |
| polarizability : | 15.50 ± 0.5 10-24cm3 |
| xlogp : | 1.70 |
| molecular weight : | 124.1802800 |
| formula : | C8 H12 O |
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| fda reg : | 172.515 |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | spicy |
| odor strength : | medium ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | cinnamon coconut spice woody sweet weedy |
| substantivity : | 48 Hour(s) |
| properties : | |
| appearence : | pale yellow clear liquid |
| assay : | 96.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89800 @ 20.00 °C.
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| refractive index : | 1.53060 @ 20.00 °C.
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| boiling point : | 190.00 °C. @ 760.00 mm Hg
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| boiling point : | 83.50 °C. @ 9.00 mm Hg
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| logp : | 1.66 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 177.00 °F. TCC ( 80.56 °C. )
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| IFRA critical Effect : | Sensitization |
| limits in the finished product for - "leave on the skin contact" : |
| | 0.0020 % Restriction.
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| limits in the finished product for - "wash off the skin contact" : |
| | 0.0020 % Restriction.
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| limits in the finished product for - "no skin contact" : |
| | 0.0020 % Restriction.
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| recommendation for methyl heptadienone usage levels up to : |
| | 0.0200 % in the fragrance concentrate.
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| recommendation for methyl heptadienone usage levels up to : |
| | 30.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 216-507-7 |
| chemidplus : | 001604280 |
| epa-srs : | 1604-28-0 |
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| chemidplus : | 1604-28-0 |
| epa-srs : | 1604-28-0 |
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| ifra : | ifra - ( Found under : Methyl heptadienone ) |
| other : | |
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| references : | |
| jecfa number : | 1134 |
| fl. number : | 07.099 |
| pubchem : | 203794 |
| NIST Chemistry WebBook : | 1296159752 |
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| pubchem : | 1604-28-0 |
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