2,5-diethyl thiazole
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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) (PT) (112)
formula :C7 H11 N S
NMR Predictor :Predict
 
 
export tariff code :2934.10.0000
fda reg :unspecified
organoleptics :
odor strength :high ,
recommend smelling in a 0.01 % solution or less
odor description:
at 0.01 % in propylene glycol.  		meaty musty nutty
properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 92.00 to 93.00 °C. @ 760.00 mm Hg
boiling point : 187.00 to 188.00 °C. @ 760.00 mm Hg
flash point : 153.00  °F.  TCC  ( 67.22 °C. )
logP (o/w) : 2.62
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
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
 
recommendation for 2,5-diethyl thiazole fragrance usage levels up to :
 not for fragrance use.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 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 (EFSA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 0.200001.00000
Edible ices, including sherbet and sorbet (03.0) : 0.400002.00000
Processed fruit (04.1) : 0.300001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 0.400002.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 0.200001.00000
Bakery wares (07.0) : 0.400002.00000
Meat and meat products, including poultry and game (08.0) : 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 0.100000.40000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 0.200001.00000
Foodstuffs intended for particular nutritional uses (13.0) : 0.400002.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 0.400002.00000
Ready-to-eat savouries (15.0) : 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 0.200001.00000
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
 
 
 
 
2,5-diethyl-1,3-thiazole
(EINECS) number :239-823-7
chemidplus :015729767
EPA Substance Registry Services :15729-76-7
references :
 
2,5-diethyl-1,3-thiazole
fl. number :15.052
NIST Chemistry WebBook :2121083181
pubchem :661935
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
2,5-diethyl-1,3-thiazole
2,5-diethylthiazole
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetyl acetaldehyde dimethyl acetalFL
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
3-acetyl pyridineFL/FR
2-acetyl pyrroleFL/FR
 acetyl pyrrolineFL
2-acetyl thiazoleFL/FR
4-acetyl-2-methyl pyrimidineFL
2-acetyl-2-thiazolineFL
5-acetyl-2,3-dihydro-1,4-thiazineFL
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3-ethyl pyrazineFL
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
 allyl 2-ethyl butyrateFL
4-allyl-2,6-dimethoxyphenolFL
 amyl mercaptanFL
isoamyl nonanoateFL/FR
alpha-angelica lactoneFL/FR
 bacon dithiazineFL
 benzothiazoleFL
 bornyl isobutyrateFL/FR
 boronia butenalFR
1,2-butane dithiolFL
1,3-butane dithiolFL
2,3-butane dithiolFL
2-(2-butyl)-4,5-dimethyl-3-thiazolineFL
 butyraldehydeFL
 butyramideFL
 butyroinFL
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
3,5-cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL
 coconut absoluteFL/FR
 coffee difuranFL
 coffee furanoneFL
 coumaneFL/FR
 coumarinFR
para-cresyl laurateFL/FR
 cyclohexyl methyl pyrazineFL
 cyclopropyl (E,Z)-2,6-nonadienamideFL
(E,E)-2,4-decadien-1-alFL
2,5-diethyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,5-diethyl-4-methyl thiazoleFL
 difurfuryl etherFL
 difurfuryl sulfideFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
2,5-dihydroxy-1,4-dithianeFL
 dihydroxyacetophenoneFL
N-(2,4-dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamideFL
N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amideFL
 dimethyl dihydrocyclopentapyrazineFL
2,5-dimethyl furanFL
2,3-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
 dimethyl tetrasulfideFL
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2,5-dimethyl thiopheneFL
2,6-dimethyl thiophenolFL
 dimethyl trisulfideFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamideFL
2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanoneFL
2,5-dimethyl-3-furan thiolFL
bis(2,5-dimethyl-3-furyl) disulfideFL
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
2,5-dimethyl-3-thiofuroyl furanFL
2,4-dimethyl-5-vinyl thiazoleFL
1,1-ethane dithiol 1% in ethanolFL
2-ethoxythiazoleFL
 ethyl (E,Z)-2,6-nonadienamideFL
S-ethyl 2-acetyl aminoethane thioateFL
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl 3-mercaptopropionateFL/FR
 ethyl 4-(acetyl thio) butyrateFL
2-ethyl pyrazineFL/FR
S-ethyl thioacetateFL
1-ethyl-2-acetyl pyrroleFL
5-ethyl-2-methyl pyridineFL
2-ethyl-3-methoxypyrazineFL/FR
2-ethyl-4-methyl thiazoleFL/FR
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 filbert heptenoneFL/FR
 filbert pyrazineFL
 furfuryl isopropyl sulfideFL
4-furfuryl thio-2-pentanoneFL
 furfuryl thioacetateFL
3-(2-furyl) acroleinFL
 hazelnut pyrazineFL/FR
(E,E)-2,4-heptadien-1-olFL
gamma-heptalactoneFL/FR
N-(heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamideFL
2-heptyl furanFL
2,4-hexadien-1-olFL
3,4-hexane dioneFL/FR
1,6-hexane dithiolFL
 hexyl mercaptanFL
2-hexyl-5 or 6-keto-1,4-dioxaneFL
2,6-lutidineFL
 maraniolCS
 massoia bark oilFL
 meaty dithianeFL
 menthofuranFL/FR
4-mercapto-2-pentanone 1% in acetoinFL
(R*,S*)-2-mercapto-3-butanolFL
2-mercapto-3-pentanoneFL
2-mercaptomethyl pyrazineFL
2-mercaptopropionic acidFL
N1-(2-methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamideFL
N1-(2-methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamideFL
2-methoxypyrazineFL/FR
 methyl 2-(methyl thio) acetateFL
 methyl 2-methyl-3-furyl disulfideFL
2-methyl 3-(methyl thio) furanFL
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
ortho-methyl acetophenoneFL/FR
ortho-methyl anisoleFL/FR
para-methyl anisoleFL/FR
 methyl benzoxoleFL/FR
2-methyl butyraldehydeFL
 methyl dihydrofuran thiolFL
4-methyl nonanoic acidFL
2-methyl pyrazineFL/FR
2-methyl quinoxalineFL
5-methyl quinoxalineFL/FR
4-methyl thiazoleFL
2-methyl thiazolidineFL
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-(methyl thio) ethanolFL
3-(methyl thio) propanolFL
2-methyl thioacetaldehydeFL
12-methyl tridecanalFL
 methyl valerateFL/FR
2-methyl-1-methyl thio-2-buteneFL
3-methyl-2-butane thiolFL
3-methyl-2-buten-1-alFL/FR
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL
2-methyl-3-furyl tetrasulfideFL
bis(2-methyl-3-furyl) disulfideFL
S-(2-methyl-3-furyl) ethane thioateFL
3-((2-methyl-3-furyl)thio)-4-heptanoneFL
4-((2-methyl-3-furyl)thio)-5-nonanoneFL
2-methyl-3-propyl pyrazineFL/FR
2-methyl-3-tetrahydrofuran thiolFL
2-methyl-5-isopropyl pyrazineFL
2-naphthyl mercaptanFL
(E,E)-2,4-nonadien-1-alFL
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
1,9-nonane dithiolFL
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
1,8-octane dithiolFL
 peanut dithiazineFL
 peanut oxazoleFL
4-penten-1-yl acetateFL
1-phenethyl mercaptanFL
 popcorn pyrimidineFL/FR
1,3-propane dithiolFL
 propionaldehydeFL
2-propionyl thiazoleFL
2-propionyl-2-thiazolineFL
 propyl 2-mercaptopropionateFL
 propyl 2-methyl-3-furyl disulfideFL
 propyl benzoateFL/FR
isopropyl disulfideFL
isopropyl mercaptanFL
isopropyl pyrazineFL
2-propyl pyridineFL
 pyrazinyl ethane thiolFL
2-pyridinyl methane thiolFL
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazineFL
 roasted butanolFL
 rum etherFL/FR
 saffron pyranoneFR
para-salicylic acidFL
 shoyu pyrazineFL/FR
3-tetrahydrothiophenoneFL
2,3,5,6-tetramethyl pyrazineFL
3-thienyl mercaptanFL
1-(2-thienyl) butanoneFL
ortho-thiocresolFL
ortho-thioguaiacolFL
 tiglaldehydeFL/FR
 tobacco butenalFR
 tonka bean absoluteFR
 tonka bean resinoidFR
2,4,5-trimethyl oxazoleFL
2,3,5-trimethyl pyrazineFL
2,4,6-trithiaheptane 10% in triacetinFL
 tropical thiazoleFL/FR
 tyramineFL
 valeraldehydeFL/FR
 valeraldehyde dibutyl acetalFL/FR
2-vinyl pyrazineFL
 vinyl sulfurolFL
 whiskey lactoneFL/FR
potential uses :
 meat 
 nutFL
natural occurrence in :    note
 coffee  


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