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)
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 :
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 usage levels up to :
 not for fragrance use.
 
 
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/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

(odor and/or flavor) blends with :
 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
isoamyl 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
isopropyl disulfide
isopropyl mercaptan
isopropyl 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 :
coffee



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