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| IUPAC name : | 12-methyltridecanal |
| InChI : | InChI=1/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3 |
| InChIKey : | OQWNKUAZQSLNSR-UHFFFAOYAC |
| SMILES : | CC(C)CCCCCCCCCCC=O |
| cas number : | 75853-49-5 |
| fema number : | 4005 |
| coe number : | 5169 |
| jecfa number : | 1229 |
| fl. number : | 05.169 |
| molar refractivity : | 67.05 ± 0.3 cm3 |
| parachor : | 595.4 ± 4.0 cm3 |
| index of refraction : | 1.434 ± 0.02 |
| surface tension : | 28.6 ± 3.0 dyne/cm |
| density : | 0.825 ± 0.06 g/cm3 |
| polarizability : | 26.58 ± 0.5 10-24cm3 |
| xlogp : | 5.50 |
| molecular weight : | 212.3715200 |
| formula : | C14 H28 O |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | meaty |
| odor strength : | medium ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in propylene glycol. | cooked meat tallow fat meat broth sweat |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.93000 - 0.94100 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.739 to 7.830
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| refractive index : | 1.44500 - 1.45500 @ 20.00 °C.
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| boiling point : | 141.00 - 143.00 °C. @ 4.00 mm Hg
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| boiling point : | 275.00 - 276.00 °C. @ 760.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| logp : | 6.04 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 0.29 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 232.00 °F. TCC ( 111.11 °C. )
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| recommendation for 12-methyl tridecanal usage levels up to : |
| | not for fragrance use.
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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 : 20. Updated in publication number(s) : 21 |
| 4005 | average usual ppm | average maximum ppm |
| baked goods : | 35.00000 | 70.00000 |
| beverages(nonalcoholic) : | 0.70000 | 7.00000 |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 0.70000 | 3.50000 |
| cheese : | 0.10000 | 5.00000 |
| chewing gum : | - | - |
| condiments / relishes : | 0.10000 | 0.50000 |
| confectionery froastings : | 1.00000 | 5.00000 |
| egg products : | 3.50000 | 35.00000 |
| fats / oils : | 3.50000 | 35.00000 |
| fish products : | 0.25000 | 5.00000 |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | 3.50000 | 35.00000 |
| hard candy : | 3.50000 | 35.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 3.50000 | 35.00000 |
| milk products : | 0.70000 | 7.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | 0.25000 | 5.00000 |
| processed fruits : | - | - |
| processed vegetables : | 0.10000 | 1.00000 |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 200.00000 | 500.00000 |
| snack foods : | 7.00000 | 35.00000 |
| soft candy : | - | - |
| soups : | 0.70000 | 7.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| chemidplus : | 075853495 |
| epa-srs : | 75853-49-5 |
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| other : | |
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| references : | |
| pubchem : | 3769602 |
| NIST Chemistry WebBook : | 2063998205 |
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