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| IUPAC name : | 2-ethyl-4,5-dimethyl-1,3-thiazole |
| InChI : | InChI=1/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3 |
| InChIKey : | BVOKJOZBJOWZNJ-UHFFFAOYAM |
| SMILES : | CCC1=NC(=C(S1)C)C |
| cas number : | 873-64-3 |
| fl. number : | 15.058 |
| molar refractivity : | 41.92 ± 0.3 cm3 |
| parachor : | 336.4 ± 4.0 cm3 |
| index of refraction : | 1.521 ± 0.02 |
| surface tension : | 35.8 ± 3.0 dyne/cm |
| density : | 1.027 ± 0.06 g/cm3 |
| polarizability : | 16.62 ± 0.5 10-24cm3 |
| xlogp : | 1.10 |
| molecular weight : | 141.2339400 |
| formula : | C7 H11 N S |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor strength : | high ,
recommend smelling in a 0.01 % solution or less |
odor description :
at 0.01 % in propylene glycol. | burnt hazelnut cocoa |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 179.00 - 182.00 °C. @ 760.00 mm Hg
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| logp : | 2.55 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 166.00 °F. TCC ( 74.44 °C. )
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| recommendation for 4,5-dimethyl-2-ethyl thiazole usage levels up to : | | | 0.0300 % in the fragrance concentrate.
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| safety links : | |
| chemidplus : | 873-64-3 |
| epa-srs : | 873-64-3 |
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| other : | |
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| references : | |
| fl. number : | 15.058 |
| pubchem : | 10537240 |
| NIST Chemistry WebBook : | 2372471827 |
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| synonyms : |
| 4,5- | dimethyl-2-ethyl thiazole | | 2- | ethyl-4,5-dimethyl-1,3-thiazole |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| (odor and/or flavor) blends with : |
| 2- | acetyl furan |
| 2- | acetyl pyrazine |
| 2- | acetyl thiazole |
| 2- | acetyl-3,5-dimethyl pyrazine |
| 2- | acetyl-3,5(or 6)-dimethyl pyrazine |
| | amyl cinnamate |
| iso | amyl cinnamate |
| | amyl phenyl acetate |
| iso | amyl phenyl acetate |
| | butyl 2-methyl butyrate |
| | butyl cinnamate |
| 2-iso | butyl-3,(5 and 6)-dimethyl pyrazine |
| 2(4)-iso | butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine |
| | butyraldehyde |
| | butyrophenone |
| | chocolate pyrazine A |
| | chocolate pyrazine B |
| | cocoa butenal |
| | cocoa hexenal |
| | cocoa oleoresin |
| | cocoa pentenal |
| | cocoa propanal |
| 3,6- | cocoa pyrazine |
| 2,5- | diethyl-3-methyl pyrazine |
| 2,5- | dimethyl pyrazine |
| 2,6- | dimethyl pyrazine |
| 2,6- | dimethyl pyridine |
| 2,4- | dimethyl-5-vinyl thiazole |
| 2- | ethyl butyraldehyde |
| | ethyl phenyl acetate |
| 2- | ethyl-4-butanol |
| | fenugreek oleoresin |
| | fenugreek resinoid |
| laevo- | glutamine |
| | hazelnut oleoresin |
| | hazelnut pyrazine |
| 2- | methoxy-3-methyl pyrazine |
| 2- | methoxypyrazine |
| 2'- | methyl acetophenone |
| 2- | methyl butyraldehyde |
| | methyl ethoxypyrazine |
| 2- | methyl pyrazine |
| 2- | methyl-3-pentenoic acid |
| 2- | methyl-3,(5 or 6)-ethoxypyrazine |
| | nonyl isovalerate |
| | peanut dithiazine |
| | phenethyl octanoate |
| | phenyl acetaldehyde |
| | propionaldehyde |
| iso | propyl formate |
| 2,3,5,6- | tetramethyl pyrazine |
| 2,3,5- | trimethyl pyrazine |
| 2,4,5- | trimethyl thiazole |
| | valeraldehyde |
| gamma- | valerolactone |
| | vinyl sulfurol |
| natural occurrence in : |
| coffee |
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