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| IUPAC name : | 2-(4-methyl-1,3-thiazol-5-yl)ethyl octanoate |
| InChI : | InChI=1/C14H23NO2S/c1-3-4-5-6-7-8-14(16)17-10-9-13-12(2)15-11-18-13/h11H,3-10H2,1-2H3 |
| InChIKey : | OGJATLSJIMPQBD-UHFFFAOYAQ |
| SMILES : | Cc1ncsc1CCOC(=O)CCCCCCC |
| cas number : | 163266-17-9 |
| fema number : | 4280 |
| jecfa number : | 1756 |
| molar refractivity : | 75.94 ± 0.3 cm3 |
| parachor : | 641.8 ± 4.0 cm3 |
| index of refraction : | 1.503 ± 0.02 |
| surface tension : | 39.0 ± 3.0 dyne/cm |
| density : | 1.049 ± 0.06 g/cm3 |
| polarizability : | 30.10 ± 0.5 10-24cm3 |
| molecular weight : | 269.4029200 |
| formula : | C14 H23 O2 N S |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | roasted nutty |
properties :
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| appearence : | colorless to yellow clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.03600 to 1.04200 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.621 to 8.670
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| refractive index : | 1.49800 to 1.49400 @ 20.00 °C.
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| boiling point : | 154.00 to 156.00 °C. @ 2.00 mm Hg
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| boiling point : | 354.00 to 356.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.17 |
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. ) : | 349.00 °F. TCC ( 176.11 °C. )
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| recommendation for sulfuryl octanoate usage levels up to : |
| | 0.0200 % 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. |
| | average usual ppm | average maximum ppm |
| baked goods : | 1.00000 | - |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | - | - |
| 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 : | 0.50000 | 1.50000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
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| | 2-(4-methyl-1,3-thiazol-5-yl)ethyl octanoate
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| chemidplus : | 163266-17-9 |
| EPA Substance Registry Services : | 163266-17-9 |
| NLM Chemical Carcinogenesis Research Information System : | 163266-17-9 |
| NLM Developmental and Reproductive Toxicity : | 163266-17-9 |
| NLM Env. Mutagen Info. Center : | 163266-17-9 |
| NLM GENetic TOXicology : | 163266-17-9 |
references :
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| | 2-(4-methyl-1,3-thiazol-5-yl)ethyl octanoate
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| jecfa number : | 1756 |
| pubchem : | 163266-17-9 |
other :
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