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| IUPAC name : | 2,5-diethyl-1,3-thiazole |
| InChI : | InChI=1/C7H11NS/c1-3-6-5-8-7(4-2)9-6/h5H,3-4H2,1-2H3 |
| InChIKey : | PATFUZGQWONVOC-UHFFFAOYAL |
| SMILES : | CCC1=CN=C(S1)CC |
| cas number : | 15729-76-7 |
| (EINECS) number : | 239-823-7 |
| fl. number : | 15.052 |
| molar refractivity : | 41.82 ± 0.3 cm3 |
| parachor : | 337.7 ± 4.0 cm3 |
| index of refraction : | 1.519 ± 0.02 |
| surface tension : | 36.1 ± 3.0 dyne/cm |
| density : | 1.025 ± 0.06 g/cm3 |
| polarizability : | 16.58 ± 0.5 10-24cm3 |
| XlogP : | 0.80 |
| molecular weight : | 141.2339400 (IUPAC) |
| formula : | C7 H11 N S |
| NMR Predictor : | Predict |
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| export tariff code : | 2934.10.0000 |
| fda reg : | unspecified |
organoleptics :
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| odor strength : | high ,
recommend smelling in a 0.01 % solution or less |
odor description :
at 0.01 % in propylene glycol. | meaty musty nutty |
properties :
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| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 92.00 to 93.00 °C. @ 760.00 mm Hg
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| boiling point : | 187.00 to 188.00 °C. @ 760.00 mm Hg
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| flash point : | 153.00 °F. TCC ( 67.22 °C. )
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| logP (o/w) : | 2.62 |
safety :
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| Oral Toxicity(LD50) : | | |
Not determined
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| Dermal Toxicity(LD50) : | | |
Not determined
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| Inhalation Toxicity(LC50) : | | |
Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.015 (μg/capita/day) |
| modified Theoretical Added Maximum Daily Intake (mTAMDI) : | 160 (μg/person/day) |
| Threshold of concern : | 540 (μg/person/day) |
| Structure Class : | II |
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| recommendation for 2,5-diethyl thiazole usage levels up to : | | | not for fragrance use.
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| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i). |
| Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. |
| | average usage mg/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0) : | 0.40000 | 2.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) : | 0.20000 | 1.00000 |
| Edible ices, including sherbet and sorbet (03.0) : | 0.40000 | 2.00000 |
| Processed fruit (04.1) : | 0.30000 | 1.50000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : | - | - |
| Confectionery (05.0) : | 0.40000 | 2.00000 |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : | 0.20000 | 1.00000 |
| Bakery wares (07.0) : | 0.40000 | 2.00000 |
| Meat and meat products, including poultry and game (08.0) : | 0.10000 | 0.40000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : | 0.10000 | 0.40000 |
| Eggs and egg products (10.0) : | - | - |
| Sweeteners, including honey (11.0) : | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : | 0.20000 | 1.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) : | 0.40000 | 2.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : | 0.20000 | 1.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : | 0.40000 | 2.00000 |
| Ready-to-eat savouries (15.0) : | 1.00000 | 5.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : | 0.20000 | 1.00000 |
safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
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| | | |
| | 2,5-diethyl-1,3-thiazole
|
| (EINECS) number : | 239-823-7 |
| chemidplus : | 015729767 |
| EPA Substance Registry Services : | 15729-76-7 |
references :
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| | 2,5-diethyl-1,3-thiazole
|
| fl. number : | 15.052 |
| NIST Chemistry WebBook : | 2121083181 |
| pubchem : | 661935 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
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synonyms :
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| 2,5- | diethyl-1,3-thiazole | | 2,5- | diethylthiazole |
soluble in :
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| | alcohol |
insoluble in :
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| | water |
(odor and/or flavor) blends with :
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| | acetyl acetaldehyde dimethyl acetal |
| | acetyl propionyl |
| 2- | acetyl pyrazine |
| 3- | acetyl pyridine |
| 2- | acetyl pyrrole |
| | acetyl pyrroline |
| 2- | acetyl thiazole |
| 4- | acetyl-2-methyl pyrimidine |
| 2- | acetyl-2-thiazoline |
| 5- | acetyl-2,3-dihydro-1,4-thiazine |
| 3- | acetyl-2,5-dimethyl furan |
| 2- | acetyl-3-ethyl pyrazine |
| 2- | acetyl-3-methyl pyrazine |
| 2- | acetyl-3,5-dimethyl pyrazine |
| 2- | acetyl-5-methyl furan |
| | allyl 2-ethyl butyrate |
| 4- | allyl-2,6-dimethoxyphenol |
| | amyl mercaptan |
| iso | amyl nonanoate |
| alpha- | angelica lactone |
| | bacon dithiazine |
| | benzothiazole |
| | bornyl isobutyrate |
| | boronia butenal |
| 1,2- | butane dithiol |
| 1,3- | butane dithiol |
| 2,3- | butane dithiol |
| 2-(2- | butyl)-4,5-dimethyl-3-thiazoline |
| | butyraldehyde |
| | butyramide |
| | butyroin |
| | chocolate pyrazine A |
| | chocolate pyrazine B |
| | cocoa pyrazine |
| 3,6- | cocoa pyrazine |
| | coconut absolute |
| | coffee difuran |
| | coffee furanone |
| | coumane |
| | coumarin |
| para- | cresyl laurate |
| | cyclohexyl methyl pyrazine |
| | cyclopropyl (E,Z)-2,6-nonadienamide |
| (E,E)-2,4- | decadien-1-al |
| 2,5- | diethyl thiazole |
| 3,5- | diethyl-2-methyl pyrazine |
| 2,5- | diethyl-3-methyl pyrazine |
| 2,5- | diethyl-4-methyl thiazole |
| | difurfuryl ether |
| | difurfuryl sulfide |
| 6,7- | dihydro-2,3-dimethyl-5H-cyclopentapyrazine |
| 2,5- | dihydroxy-1,4-dithiane |
| | dihydroxyacetophenone |
| N-(2,4- | dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide |
| N-(2-(3,4- | dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide |
| | dimethyl dihydrocyclopentapyrazine |
| 2,5- | dimethyl furan |
| 2,3- | dimethyl pyrazine |
| 2,5- | dimethyl pyrazine |
| 2,6- | dimethyl pyridine |
| | dimethyl tetrasulfide |
| 2,5- | dimethyl thiazole |
| 4,5- | dimethyl thiazole |
| 2,5- | dimethyl thiophene |
| 2,6- | dimethyl thiophenol |
| | dimethyl trisulfide |
| 4,5- | dimethyl-2-ethyl-3-thiazoline |
| 3,7- | dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide |
| 2,6- | dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone |
| 2,5- | dimethyl-3-furan thiol |
| bis(2,5- | dimethyl-3-furyl) disulfide |
| (Z+E)-2,5- | dimethyl-3-tetrahydrofuran thiol |
| (Z+E)-2,5- | dimethyl-3-thioacetoxytetrahydrofuran |
| 2,5- | dimethyl-3-thiofuroyl furan |
| 2,4- | dimethyl-5-vinyl thiazole |
| 1,1- | ethane dithiol 1% in ethanol |
| 2- | ethoxythiazole |
| | ethyl (E,Z)-2,6-nonadienamide |
| S- | ethyl 2-acetyl aminoethane thioate |
| | ethyl 2-hydroxy-2-methyl butyrate |
| | ethyl 3-mercaptopropionate |
| | ethyl 4-(acetyl thio) butyrate |
| 2- | ethyl pyrazine |
| S- | ethyl thioacetate |
| 1- | ethyl-2-acetyl pyrrole |
| 5- | ethyl-2-methyl pyridine |
| 2- | ethyl-3-methoxypyrazine |
| 2- | ethyl-4-methyl thiazole |
| (Z+E)-5- | ethyl-4-methyl-2-(2-butyl) thiazoline |
| (Z+E)-5- | ethyl-4-methyl-2-(2-methyl propyl) thiazoline |
| | filbert heptenone |
| | filbert pyrazine |
| | furfuryl isopropyl sulfide |
| 4- | furfuryl thio-2-pentanone |
| | furfuryl thioacetate |
| 3-(2- | furyl) acrolein |
| | hazelnut pyrazine |
| (E,E)-2,4- | heptadien-1-ol |
| gamma- | heptalactone |
| N-( | heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide |
| 2- | heptyl furan |
| 2,4- | hexadien-1-ol |
| 3,4- | hexane dione |
| 1,6- | hexane dithiol |
| | hexyl mercaptan |
| 2- | hexyl-5 or 6-keto-1,4-dioxane |
| 4- | hydroxybenzoic acid |
| | maraniol |
| | massoia bark oil |
| | meaty dithiane |
| | menthofuran |
| 4- | mercapto-2-pentanone 1% in acetoin |
| (R*,S*)-2- | mercapto-3-butanol |
| 2- | mercapto-3-pentanone |
| 2- | mercaptomethyl pyrazine |
| 2- | mercaptopropionic acid |
| N1-(2- | methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide |
| N1-(2- | methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide |
| 2- | methoxypyrazine |
| | methyl 2-(methyl thio) acetate |
| | methyl 2-methyl-3-furyl disulfide |
| 2- | methyl 3-(methyl thio) furan 10% in triacetin |
| 4- | methyl 4-mercaptopentan-2-one 1% in pg |
| 2'- | methyl acetophenone |
| 2- | methyl anisole |
| para- | methyl anisole |
| | methyl benzoxole |
| 2- | methyl butyraldehyde |
| | methyl dihydrofuran thiol |
| 4- | methyl nonanoic acid |
| 2- | methyl pyrazine |
| 2- | methyl quinoxaline |
| 5- | methyl quinoxaline |
| 4- | methyl thiazole |
| 2- | methyl thiazolidine |
| 2- | methyl thio-3,5 or 6-methyl pyrazine |
| 2-( | methyl thio) acetaldehyde |
| 2-( | methyl thio) ethanol |
| 3-( | methyl thio) propanol |
| 12- | methyl tridecanal |
| | methyl valerate |
| 2- | methyl-1-methyl thio-2-butene |
| 3- | methyl-2-butane thiol |
| 3- | methyl-2-buten-1-al |
| 2- | methyl-3-,5 or 6-(furfuryl thio) pyrazine |
| 2- | methyl-3-(methyl thio) pyrazine |
| 2- | methyl-3-furyl tetrasulfide |
| bis(2- | methyl-3-furyl) disulfide |
| S-(2- | methyl-3-furyl) ethane thioate |
| 3-((2- | methyl-3-furyl)thio)-4-heptanone |
| 4-((2- | methyl-3-furyl)thio)-5-nonanone |
| 2- | methyl-3-propyl pyrazine |
| 2- | methyl-3-tetrahydrofuran thiol |
| 2- | methyl-3,(5 or 6)-ethoxypyrazine |
| 2- | methyl-5-isopropyl pyrazine |
| 2- | naphthyl mercaptan |
| (E,E)-2,4- | nonadien-1-al |
| (E,Z)-2,6- | nonadien-1-yl acetate |
| 1,9- | nonane dithiol |
| | nutty cyclohexenone |
| | nutty quinoxaline |
| | nutty thiazole |
| 1,8- | octane dithiol |
| | peanut dithiazine |
| | peanut oxazole |
| 4- | penten-1-yl acetate |
| 1- | phenethyl mercaptan |
| | popcorn pyrimidine |
| 1,3- | propane dithiol |
| | propionaldehyde |
| 2- | propionyl thiazole |
| 2- | propionyl-2-thiazoline |
| | propyl 2-mercaptopropionate |
| | propyl 2-methyl-3-furyl disulfide |
| | propyl benzoate |
| iso | propyl disulfide |
| iso | propyl mercaptan |
| iso | propyl pyrazine |
| 2- | propyl pyridine |
| | pyrazinyl ethane thiol |
| 2- | pyridinyl methane thiol |
| | pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine |
| | roasted butanol |
| | rum ether |
| | saffron pyranone |
| | shoyu pyrazine |
| 3- | tetrahydrothiophenone |
| 2,3,5,6- | tetramethyl pyrazine |
| 3- | thienyl mercaptan |
| 1-(2- | thienyl) butanone |
| ortho- | thiocresol |
| | thioguaiacol |
| (E)- | tiglic aldehyde |
| | tobacco butenal |
| | tonka bean absolute |
| | tonka bean resinoid |
| 2,4,5- | trimethyl oxazole |
| 2,3,5- | trimethyl pyrazine |
| 2,4,6- | trithiaheptane 10% in triacetin |
| | tropical thiazole |
| | tyramine |
| | valeraldehyde |
| | valeraldehyde dibutyl acetal |
| 2- | vinyl pyrazine |
| | vinyl sulfurol |
| | whiskey lactone |
natural occurrence in :
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| coffee |
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