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| IUPAC name : | (Z)-dodec-4-enal |
| InChI : | InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-9,12H,2-7,10-11H2,1H3/b9-8- |
| InChIKey : | MMCDSVCBSAMNPL-HJWRWDBZBQ |
| SMILES : | CCCCCCC\C=C/CCC=O |
| cas number : | 21944-98-9 |
| fema number : | 4036 |
| jecfa number : | 1636 |
| fl. number : | 05.220 |
| molar refractivity : | 57.88 ± 0.3 cm3 |
| parachor : | 505.6 ± 4.0 cm3 |
| index of refraction : | 1.444 ± 0.02 |
| surface tension : | 29.1 ± 3.0 dyne/cm |
| density : | 0.837 ± 0.06 g/cm3 |
| polarizability : | 22.94 ± 0.5 10-24cm3 |
| xlogp : | 5.20 |
| molecular weight : | 182.3024800 |
| formula : | C12 H22 O |
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| IUPAC name : | dodecanal |
| InChI : | InChI=1/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3 |
| InChIKey : | HFJRKMMYBMWEAD-UHFFFAOYAZ |
| SMILES : | CCCCCCCCCCCC=O |
| (EINECS) number : | 203-983-6 |
| cas number : | 112-54-9 |
| % from : | 3.00% to 4.00% |
| beilstein number : | 1703917 |
| fema number : | 2615 |
| coe number : | 99 |
| jecfa number : | 110 |
| fl. number : | 05.011 |
| molar refractivity : | 57.83 ± 0.3 cm3 |
| parachor : | 518.4 ± 4.0 cm3 |
| index of refraction : | 1.429 ± 0.02 |
| surface tension : | 28.7 ± 3.0 dyne/cm |
| density : | 0.823 ± 0.06 g/cm3 |
| polarizability : | 22.92 ± 0.5 10-24cm3 |
| xlogp : | 5.70 |
| molecular weight : | 184.3183600 |
| formula : | C12 H24 O |
| BioActivity Analysis : | 103298 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor strength : | medium ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | aldehydic citrus fruity |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 94.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.84300 - 0.84700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.015 to 7.048
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| refractive index : | 1.44300 - 1.44900 @ 20.00 °C.
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| boiling point : | 253.00 - 254.00 °C. @ 760.00 mm Hg
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| logp : | 4.83 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 228.00 °F. TCC ( 108.89 °C. )
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| recommendation for (Z)-4-dodecen-1-al usage levels up to : |
| | 0.8000 % in the fragrance concentrate.
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| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| publication number : 21. |
| 4036 | average usual ppm | average maximum ppm |
| baked goods : | 0.10000 | 0.20000 |
| beverages(nonalcoholic) : | 0.05000 | 0.10000 |
| beverages(alcoholic) : | 0.08000 | 0.16000 |
| breakfast cereal : | 0.10000 | 0.20000 |
| cheese : | - | - |
| chewing gum : | 4.00000 | 8.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | 1.00000 | 2.00000 |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 0.08000 | 0.16000 |
| fruit ices : | 0.08000 | 0.16000 |
| gelatins / puddings : | 0.05000 | 0.11000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 0.10000 | 0.20000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | 0.04000 | 0.08000 |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | 0.10000 | 0.20000 |
| soft candy : | 0.10000 | 0.20000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| chemidplus : | 21944-98-9 |
| epa-srs : | 21944-98-9 |
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| (EINECS) number : | 203-983-6 |
| rtecs : | JR1910000 for 112-54-9 |
| chemidplus : | 000112549 |
| epa-srs : | 112-54-9 |
| dtp/nci : | 52196 |
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| other : | |
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| references : | |
| pubchem : | 10546567 |
| NIST Chemistry WebBook : | 2179103962 |
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| pubchem : | 151324 |
| NIST Chemistry WebBook : | 687443686 |
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