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| IUPAC name : | 3,7-dimethyloct-6-enyl 2-aminobenzoate |
| InChI : | InChI=1/C17H25NO2/c1-13(2)7-6-8-14(3)11-12-20-17(19)15-9-4-5-10-16(15)18/h4-5,7,9-10,14H,6,8,11-12,18H2,1-3H3 |
| InChIKey : | LSJVFMHIFWWGDY-UHFFFAOYAC |
| SMILES : | CC(CCC=C(C)C)CCOC(=O)C1=CC=CC=C1N |
| cas number : | 68555-57-7 |
| (EINECS) number : | 271-433-2 |
| fema number : | 4086 |
| jecfa number : | 1539 |
| molar refractivity : | 83.81 ± 0.3 cm3 |
| parachor : | 676.7 ± 4.0 cm3 |
| index of refraction : | 1.528 ± 0.02 |
| surface tension : | 38.3 ± 3.0 dyne/cm |
| density : | 1.012 ± 0.06 g/cm3 |
| polarizability : | 33.22 ± 0.5 10-24cm3 |
| XlogP : | 5.40 |
| molecular weight : | 275.3859000 |
| formula : | C17 H25 N O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2922.49.3800 |
| fda reg : | unspecified |
Suppliers :
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| Penta : | citronellyl anthranilate
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organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description :¹ at 100.00 %. | sweet rose fruity neroli petitgrain |
| odor sample from : | Bedoukian Research, Inc. |
| substantivity : | 48 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 96.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99900 to 1.00900 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.313 to 8.396
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| refractive index : | 1.53000 to 1.54000 @ 20.00 °C.
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| boiling point : | 365.00 °C. @ 760.00 mm Hg
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| boiling point : | 160.00 °C. @ 0.10 mm Hg
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| acid value : | 1.00 max. KOH/g
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| flash point : | 230.00 °F. TCC ( 110.00 °C. )
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| logP (o/w) : | 6.14 |
safety :
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| Oral Toxicity(LD50) : |
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Not determined
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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 citronellyl anthranilate usage levels up to : |
| | 5.0000 % 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 : 22 |
| | average usual ppm | average maximum ppm |
| baked goods : | 10.00000 | 50.00000 |
| beverages(nonalcoholic) : | 10.00000 | 100.00000 |
| beverages(alcoholic) : | 10.00000 | 100.00000 |
| breakfast cereal : | 1.00000 | 25.00000 |
| cheese : | - | - |
| chewing gum : | 5.00000 | 25.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | 10.00000 | 50.00000 |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 1.00000 | 5.00000 |
| fruit ices : | 20.00000 | 100.00000 |
| gelatins / puddings : | 25.00000 | 50.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 10.00000 | 100.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | 10.00000 | 100.00000 |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | 10.00000 | 100.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | 5.00000 | 25.00000 |
| soft candy : | 10.00000 | 100.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | 1.00000 | 25.00000 |
safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | 3,7-dimethyloct-6-enyl 2-aminobenzoate
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| (EINECS) number : | 271-433-2 |
| chemidplus : | 068555577 |
| EPA Substance Registry Services : | 68555-57-7 |
references :
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| | 3,7-dimethyloct-6-enyl 2-aminobenzoate
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| jecfa number : | 1539 |
| pubchem : | 686814 |
other :
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| reference : | Luebke, William tgsc, (1988)¹ |