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| IUPAC name : | 4-methyl-2-nonyl-1,3-dioxolane |
| InChI : | InChI=1/C13H26O2/c1-3-4-5-6-7-8-9-10-13-14-11-12(2)15-13/h12-13H,3-11H2,1-2H3 |
| InChIKey : | SJLDHKPBFAHHSI-UHFFFAOYAK |
| SMILES : | CCCCCCCCCC1OCC(O1)C |
| (EINECS) number : | 226-536-7 |
| cas number : | 5421-12-5 |
| fema number : | 4364 |
| jecfa number : | 1744 |
| molar refractivity : | 63.51 ± 0.3 cm3 |
| parachor : | 571.2 ± 4.0 cm3 |
| index of refraction : | 1.433 ± 0.02 |
| surface tension : | 30.0 ± 3.0 dyne/cm |
| density : | 0.878 ± 0.06 g/cm3 |
| polarizability : | 25.17 ± 0.5 10-24cm3 |
| xlogp : | 5.00 |
| molecular weight : | 214.3443400 |
| formula : | C13 H26 O2 |
| BioActivity Analysis : | 72608 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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| odor type : | green |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | green floral |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88100 - 0.88700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.331 to 7.381
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| refractive index : | 1.43300 - 1.43900 @ 20.00 °C.
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| boiling point : | 270.00 - 271.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.51 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 214.00 °F. TCC ( 101.11 °C. )
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| recommendation for decanal propylene glycol acetal 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). |
| publication number : 23. |
| 4364 | average usual ppm | average maximum ppm |
| baked goods : | 10.00000 | 50.00000 |
| beverages(nonalcoholic) : | 1.00000 | 10.00000 |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 1.00000 | 30.00000 |
| cheese : | 1.00000 | 30.00000 |
| chewing gum : | 10.00000 | 50.00000 |
| condiments / relishes : | 0.20000 | 40.00000 |
| confectionery froastings : | 0.20000 | 40.00000 |
| egg products : | 1.00000 | 30.00000 |
| fats / oils : | 1.00000 | 100.00000 |
| fish products : | 0.20000 | 40.00000 |
| frozen dairy : | 0.20000 | 40.00000 |
| fruit ices : | 2.00000 | 40.00000 |
| gelatins / puddings : | 0.20000 | 40.00000 |
| granulated sugar : | - | - |
| gravies : | 1.00000 | 30.00000 |
| hard candy : | 1.00000 | 100.00000 |
| imitation dairy : | 1.00000 | 30.00000 |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 0.20000 | 40.00000 |
| milk products : | 2.00000 | 30.00000 |
| nut products : | 1.00000 | 30.00000 |
| other grains : | 1.00000 | 30.00000 |
| poultry : | 1.00000 | 30.00000 |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 1.00000 | 100.00000 |
| snack foods : | 1.00000 | 30.00000 |
| soft candy : | 1.00000 | 100.00000 |
| soups : | 0.20000 | 40.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety links :
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| (EINECS) number : | 226-536-7 |
| chemidplus : | 005421125 |
| epa-srs : | 5421-12-5 |
| dtp/nci : | 6643 |
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other :
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references :
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| jecfa number : | 1744 |
| pubchem : | 672549 |
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