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| IUPAC name : | 3,5-dimethylcyclohex-3-ene-1-carbaldehyde |
| InChI : | InChI=1/C9H14O/c1-7-3-8(2)5-9(4-7)6-10/h3,6-7,9H,4-5H2,1-2H3 |
| InChIKey : | ZHDQGHCZWWDMRS-UHFFFAOYAO |
| SMILES : | CC1CC(CC(=C1)C)C=O |
| cas number : | 68737-61-1 |
| (EINECS) number : | 272-113-5 |
| fema number : | 4505 |
| molar refractivity : | 43.29 ± 0.3 cm3 |
| parachor : | 349.5 ± 6.0 cm3 |
| index of refraction : | 1.511 ± 0.02 |
| surface tension : | 34.4 ± 3.0 dyne/cm |
| density : | 0.957 ± 0.06 g/cm3 |
| polarizability : | 17.16 ± 0.5 10-24cm3 |
| XlogP : | 2.30 |
| molecular weight : | 138.2068600 |
| formula : | C9 H14 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | green |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
| substantivity : | 16 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 85.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.92000 to 0.92900 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.655 to 7.730
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| refractive index : | 1.46800 to 1.47200 @ 20.00 °C.
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| boiling point : | 188.00 to 190.00 °C. @ 760.00 mm Hg
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| flash point : | 142.00 °F. TCC ( 61.11 °C. )
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| logP (o/w) : | 2.67 |
safety :
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| Oral Toxicity(LD50) : |
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Oral-Mouse >3.10 gm/kg
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for 3,5-ivy carbaldehyde usage levels up to : |
| | 3.0000 % 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). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link. |
| publication number : 24 |
| | average usual ppm | average maximum ppm |
| baked goods : | 0.20000 | 4.00000 |
| beverages(nonalcoholic) : | 0.50000 | 5.00000 |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | 5.00000 | 50.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | 0.50000 | 4.00000 |
| fish products : | - | - |
| frozen dairy : | 0.50000 | 10.00000 |
| fruit ices : | 0.50000 | 10.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 0.20000 | 5.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | - | - |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 3,5-dimethylcyclohex-3-ene-1-carbaldehyde
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| (EINECS) number : | 272-113-5 |
| chemidplus : | 068039485 |
| EPA Substance Registry Services : | 68737-61-1 |
| dtp/nci : | 48084 |
references :
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| | 3,5-dimethylcyclohex-3-ene-1-carbaldehyde
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| pubchem : | 100739 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |