2-ethyl-4-methyl thiazole
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IUPAC name :2-ethyl-4-methyl-1,3-thiazole
InChI :InChI=1/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3
InChIKey :VGRVKVGGUPOCMT-UHFFFAOYAL
SMILES :CCC1=NC(=CS1)C
cas number :15679-12-6
(EINECS) number :239-757-9
fema number :3680
coe number :11612
jecfa number :1044
fl. number :15.033
molar refractivity :37.10 ± 0.3 cm3
parachor :298.8 ± 4.0 cm3
index of refraction :1.524 ± 0.02
surface tension :36.9 ± 3.0 dyne/cm
density :1.049 ± 0.06 g/cm3
polarizability :14.70 ± 0.5 10-24cm3
XlogP : 1.30
molecular weight : 127.2073600
formula :C6 H9 N S
NMR Predictor :Predict
 
 
export tariff code :2934.10.0000
fda reg :unspecified

Suppliers :
Advanced Biotech :2-ethyl-4-methyl thiazole
98% min. natural
Odor:  Nutty
Advanced Biotech :2-ethyl-4-methyl thiazole
4% min. (in triethyl citrate) natural
Odor:  Nutty
Bedoukian Research :2-ETHYL-4-METHYL THIAZOLE
≥98.0%, Kosher
Odor:  A nutty, green pistachio aroma.
Endeavour :2-Ethyl-4-methylthiazole
98%
Fleurchem :2-ethyl-4-methyl thiazole
Fontarome :2-ETHYL-4-METHYLTHIAZOLE
Odor:  Nutty, green
Frutarom :2-ETHYL-4-METHYLTHIAZOLE
≥98.00%, NI, Kosher
Odor:  Green, Nutty
Moellhausen :2-ethyl-4-methyl thiazole
95% min. nature identical kosher
Penta :2-ethyl-4-methyl thiazole
Sigma-Aldrich-SAFC :2-Ethyl-4-methylthiazole
≥98%, Kosher, FG
Odor:  green; nutty
Treatt :2-Ethyl-4-methyl thiazole

organoleptics :
odor type :nutty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
nutty green pistachio

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.02100 to 1.03100 @ 25.00 °C.
pounds per gallon - calc. : 8.496 to 8.579
refractive index :1.50100 to 1.51100 @ 20.00 °C.
boiling point : 161.00 to 162.00 °C. @ 760.00 mm Hg
boiling point : 56.00 °C. @ 20.00 mm Hg
vapor density :4.3 ( Air = 1 )
flash point : 140.00  °F.  TCC  ( 60.00 °C. )
logP (o/w) : 2.09

safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) :
  Oral-Rat   [sex: M,F]  540.00  mg/kg
(Moreno et al., 1981b)

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :3.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :1.00 (μg/capita/day)
 
recommendation for 2-ethyl-4-methyl thiazole usage levels up to :
 not for fragrance use.
recommendation for 2-ethyl-4-methyl thiazole usage levels up to :
  1.0000 ppm in the flavor.

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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :3
 
 
 
 2-ethyl-4-methyl-1,3-thiazole
(EINECS) number :239-757-9
chemidplus :015679126
EPA Substance Registry Services :15679-12-6

references :
 2-ethyl-4-methyl-1,3-thiazole
fl. number :15.033
jecfa number :1044
NIST Chemistry WebBook :332407923
pubchem :170032

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 coffee thiazole
2-ethyl-4-methyl-1,3-thiazole

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetyl acetaldehyde dimethyl acetal
2-acetyl furan
 acetyl propionyl
2-acetyl pyrazine
3-acetyl pyridine
2-acetyl pyrrole
 acetyl pyrroline
2-acetyl thiazole
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
isoamyl nonanoate
alpha-angelica lactone
 benzothiazole
 benzyl mercaptan
 bornyl isobutyrate
 boronia butenal
 butyl mercaptan
 caramel furanone
 chocolate pyrazine A
 cocoa pyrazine
3,6-cocoa pyrazine
 coconut absolute
 coffee difuran
 coffee dione
 coffee pyrazine
 coumane
 cyclohexyl methyl pyrazine
 dicyclohexyl disulfide
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
 diisoamyl thiomalate
 dimethyl dihydrocyclopentapyrazine
2,3-dimethyl pyrazine
2,6-dimethyl pyrazine
2,6-dimethyl pyridine
2,4-dimethyl thiazole
2,5-dimethyl thiazole
4,5-dimethyl thiazole
2,5-dimethyl thiophene
4,5-dimethyl-2-ethyl-3-thiazoline
2,5-dimethyl-3-thiofuroyl furan
2,4-dimethyl-5-vinyl thiazole
 ethyl 2-hydroxy-2-methyl butyrate
 ethyl 3-(furfuryl thio) propionate
 ethyl methyl sulfide
2-ethyl pyrazine
S-ethyl thioacetate
1-ethyl-2-acetyl pyrrole
5-ethyl-2-methyl pyridine
2-ethyl-3-methoxypyrazine
2-ethyl-3,5(6)-dimethyl pyrazine mixture
(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 alcohol
 furfuryl isopropyl sulfide
 furfuryl mercaptan
 furfuryl methyl ether
 furfuryl propionate
1-furfuryl pyrrole
 furfuryl thioacetate
S-furfuryl thioformate
 furfuryl thiopropionate
3-(2-furyl) acrolein
 hazelnut notes
 hazelnut oleoresin
 hazelnut pyrazine
(E,E)-2,4-heptadien-1-ol
gamma-heptalactone
2-heptyl furan
2,4-hexadien-1-ol
3,4-hexane dione
2-hexyl-5 or 6-keto-1,4-dioxane
1-hydroxy-2-butanone
4-hydroxybenzoic acid
 maraniol
 menthofuran
2-methoxypyrazine
2-methyl 3-(methyl thio) furan 10% in triacetin
2-methyl 5-(methyl thio) furan
2-methyl anisole
para-methyl anisole
2-methyl butyraldehyde
 methyl cyclopentenolone
 methyl furfuryl disulfide
2-methyl pyrazine
2-methyl quinoxaline
5-methyl quinoxaline
4-methyl thiazole
2-methyl thio-3,5 or 6-methyl pyrazine
2-(methyl thio) acetaldehyde
 methyl valerate
3-methyl-2-buten-1-al
2-methyl-3-,5 or 6-(furfuryl thio) pyrazine
2-methyl-3-(methyl thio) pyrazine
2-methyl-3-propyl pyrazine
2-methyl-3,(5 or 6)-ethoxypyrazine
2-methyl-5-isopropyl pyrazine
(E,E)-2,4-nonadien-1-al
 nutty cyclohexenone
 nutty quinoxaline
 nutty thiazole
 peanut dithiazine
 peanut oxazole
2-propionyl thiazole
2-propionyl-2-thiazoline
 propyl benzoate
isopropyl pyrazine
2-propyl pyridine
 saffron pyranone
 sandalwood oil
 shoyu pyrazine
 sulfuryl butyrate
 sulfuryl decanoate
 sulfuryl formate
 sulfuryl hexanoate
 sulfuryl isobutyrate
 sulfuryl octanoate
 sulfuryl propionate
2,3,5,6-tetramethyl pyrazine
2-thienyl mercaptan
2-thiophene thiol
(E)-tiglic aldehyde
 tobacco butenal
 tonka bean absolute
 tonka bean resinoid
2,3,5-trimethyl pyrazine
2,4,5-trimethyl thiazole
 valeraldehyde
 valeraldehyde dibutyl acetal
 valeraldehyde propylene glycol acetal
2-vinyl pyrazine
 vinyl sulfurol
 whiskey lactone
2,6-xylenol

(odor and/or flavor) used in :
 candy
 chocolate cocoa
 coffee
 green
 nut pistachio

natural occurrence in :
coffee



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