2-propionyl thiazole
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IUPAC name :1-(1,3-thiazol-2-yl)propan-1-one
InChI :InChI=1/C6H7NOS/c1-2-5(8)6-7-3-4-9-6/h3-4H,2H2,1H3
InChIKey :InChI=1/C6H7NOS/c1-2-5(8)6-7-3
SMILES :CCC(=O)C1=NC=CS1
cas number :43039-98-1
beilstein number :0507838
fema number :3611
jecfa number :1042
fl. number :15.027
molar refractivity :37.38 ± 0.3 cm3
parachor :309.5 ± 4.0 cm3
index of refraction :1.534 ± 0.02
surface tension :44.0 ± 3.0 dyne/cm
density :1.174 ± 0.06 g/cm3
polarizability :14.82 ± 0.5 10-24cm3
XlogP : 0.30
molecular weight : 141.1908800 (IUPAC)
formula :C6 H7 N O S
NMR Predictor :Predict
 
 
export tariff code :2934.10.0000
fda reg :unspecified
Suppliers :
Endeavour :2-Propionylthiazole
99%
Penta :2-propionyl thiazole
Treatt :2-Propionylthiazole
Odor:  Bread-crust
May be useful in panyam/bas mati rice flavours, in place of 2-Acetyl-2-Thiazoline, which is unstable and unavailable.
organoleptics :
odor type :bready
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in dipropylene glycol.  		cereal bread nutty popcorn
properties :
appearence :pale yellow clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.20500 to 1.21000 @ 25.00 °C.
pounds per gallon - calc. :10.027 to 10.068
refractive index :1.52800 to 1.53300 @ 20.00 °C.
boiling point : 110.00 °C. @ 5.00 mm Hg
boiling point : 95.00 °C. @ 1.00 mm Hg
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 0.90
safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) : 
  Gavage-Mouse   [sex: M,F]  2113.00  mg/kg
(Moran et al., 1980)

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.20 (μg/capita/day)
 
recommendation for 2-propionyl thiazole fragrance usage levels up to :
 not for fragrance use.
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
 
 
 
 
1-(1,3-thiazol-2-yl)propan-1-one
chemidplus :043039981
EPA Substance Registry Services :43039-98-1
references :
 
1-(1,3-thiazol-2-yl)propan-1-one
fl. number :15.027
jecfa number :1042
NIST Chemistry WebBook :2337331957
pubchem :207262
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 ethyl 2-thiazolyl ketone
1-(1,3-thiazol-2-yl) propan-1-one
1-(1,3-thiazol-2-yl)propan-1-one
1-2-thiazolyl-1-propanone
1-(2-thiazolyl)-1-propanone
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetyl acetaldehyde dimethyl acetalFL
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
2-acetyl pyridineFL/FR
3-acetyl pyridineFL/FR
2-acetyl pyrroleFL/FR
 acetyl pyrrolineFL
2-acetyl thiazoleFL/FR
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-3,5(or 6)-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
2-acetyl-5-methyl pyrazineFL
2-acetyl-6-methyl pyrazineFL
 allyl 2-ethyl butyrateFL
isoamyl nonanoateFL/FR
alpha-angelica lactoneFL/FR
 bornyl isobutyrateFL/FR
 boronia butenalFR
 bran absoluteFR
 butyraldehydeFL
 butyramideFL
 caraway seed oleoresinFL
dextro-carvoneFL/FR
 chocolate pyrazine AFL/FR
3,6-cocoa pyrazineFL
 coconut absoluteFL/FR
 coffee furanoneFL
 coumaneFL/FR
para-cresyl laurateFL/FR
 cyclohexyl methyl pyrazineFL
2,5-diethyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,5-diethyl-4-methyl thiazoleFL
 difurfuryl etherFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
2,5-dihydroxy-1,4-dithianeFL
 diisoamyl thiomalateFL
 dimethyl dihydrocyclopentapyrazineFL
2,3-dimethyl pyrazineFL/FR
2,6-dimethyl pyridineFL
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2,5-dimethyl thiopheneFL
2,4-dimethyl-5-vinyl thiazoleFL
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl dimethyl pyrazineFL
2-ethyl pyrazineFL/FR
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
 furfuralFL
 furfuryl alcoholFL
 furfuryl octanoateFL
 furfuryl thioacetateFL
3-(2-furyl) acroleinFL
laevo-glutamic acidCS
 hazelnut notes 
 hazelnut oleoresinFL
 hazelnut pyrazineFL/FR
(E,E)-2,4-heptadien-1-olFL
gamma-heptalactoneFL/FR
2-heptyl furanFL
2,4-hexadien-1-olFL
3,4-hexane dioneFL/FR
2-hexyl-5 or 6-keto-1,4-dioxaneFL
4-hydroxybenzoic acidFL
 maltolFL/FR
 maraniolCS
 menthofuranFL/FR
2-methoxypyrazineFL/FR
2-methyl anisoleFL/FR
para-methyl anisoleFL/FR
2-methyl butyraldehydeFL
2-methyl pyrazineFL/FR
2-methyl quinoxalineFL
5-methyl quinoxalineFL/FR
4-methyl thiazoleFL
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-(methyl thio) acetaldehydeFL
 methyl valerateFL/FR
3-methyl-2-buten-1-alFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-propyl pyrazineFL/FR
2-methyl-3,(5 or 6)-ethoxypyrazineFL
2-methyl-5-isopropyl pyrazineFL
(E,E)-2,4-nonadien-1-alFL
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
 peanut dithiazineFL
 peanut oxazoleFL
 popcorn pyrimidineFL/FR
2-propionyl pyrroleFL
2-propionyl-2-thiazolineFL
 propyl benzoateFL/FR
isopropyl pyrazineFL
2-propyl pyridineFL
 saffron pyranoneFR
 sandalwood oilFL/FR
 shoyu furanoneFL/FR
 shoyu pyrazineFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
2,3,5,6-tetramethyl pyrazineFL
(E)-tiglic aldehydeFL/FR
 tobacco butenalFR
 toffee furanoneFL/FR
 tonka bean absoluteFR
 tonka bean resinoidFR
2,3,5-trimethyl pyrazineFL
 valeraldehydeFL/FR
 valeraldehyde dibutyl acetalFL/FR
 valeraldehyde propylene glycol acetalFL/FR
2-vinyl pyrazineFL
 vinyl sulfurolFL
 whiskey lactoneFL/FR
potential uses :
 bread
 cereal
 nut
 panyam
 popcorn
 rice
natural occurrence in :    note
 lard  
 spinach cooked spinach  

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