4,5-dimethyl thiazole
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IUPAC name :4,5-dimethyl-1,3-thiazole
InChI :InChI=1/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3
InChIKey :UWSONZCNXUSTKW-UHFFFAOYAY
SMILES :CC1=C(SC=N1)C
cas number :3581-91-7
(EINECS) number :222-703-3
beilstein number :0105694
fema number :3274
coe number :11606
jecfa number :1035
fl. number :15.017
molar refractivity :32.37 ± 0.3 cm3
parachor :259.8 ± 4.0 cm3
index of refraction :1.530 ± 0.02
surface tension :37.9 ± 3.0 dyne/cm
density :1.081 ± 0.06 g/cm3
polarizability :12.83 ± 0.5 10-24cm3
XlogP : 1.00
molecular weight : 113.1807800 (IUPAC)
formula :C5 H7 N S
NMR Predictor :Predict
 
 
export tariff code :2934.10.0000
fda reg :unspecified
Suppliers :
Endeavour :4,5-Dimethylthiazole
98%
Fleurchem :4,5-dimethyl thiazole
Frutarom :4,5-DIMETHYLTHIAZOLE
≥99.00%, NI, Kosher
Odor:  Fish, Green, Nutty, Roast
Suggested Uses: Chocolate, Cocoa, Coffee, Meat, Nut, Shellfish
Hofmen :4,5-Dimethythiazole
Penta :4,5-dimethyl thiazole
SAFC Global® :4,5-Dimethylthiazole
≥97%
Odor:  meaty; nutty
Treatt :4,5-Dimethylthiazole
organoleptics :
odor type :fishy
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in dipropylene glycol.  		roasted nutty fishy green boiled shrimp
odor description:
Fishy, amine and pyridine-like with shrimp and savory nuances
Mosciano, Gerard P&F 22, No. 3, 47, (1997)
taste description:
at 5.00 ppm.  		Fishy, pyidine-like with molasses and savory nuances
Mosciano, Gerard P&F 22, No. 3, 47, (1997)
properties :
appearence :colorless to yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.07808 to 1.08400 @ 20.00 °C.
pounds per gallon - calc. : 8.981 to 9.030
refractive index :1.51500 to 1.52000 @ 20.00 °C.
melting point : 83.00 to 84.00 °C. @ 760.00 mm Hg
boiling point : 157.00 to 159.00 °C. @ 760.00 mm Hg
boiling point : 158.00 °C. @ 742.00 mm Hg
vapor density :3.8 ( Air = 1 )
flash point : 125.00  °F.  TCC  ( 51.67 °C. )
logP (o/w) : 2.09
safety :
most important hazard(s) :Xn - Harmful.
  R 10 - Flammable.
R 22 - Harmful if swallowed.
R 37/38 - Irritating to respiratory system and skin.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Gavage-Rat   [sex: M,F]  964.90  mg/kg
(Piccirillo et al., 1982a)

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.18 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.40 (μg/capita/day)
 
recommendation for 4,5-dimethyl thiazole fragrance usage levels up to :
 not for fragrance use.
recommendation for 4,5-dimethyl thiazole flavor usage levels up to :
  20.0000 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
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1992
 
WGK Germany :3
 
 
 
 
4,5-dimethyl-1,3-thiazole
(EINECS) number :222-703-3
RTECS :XJ4380000 for cas# 3581-91-7
chemidplus :003581917
EPA Substance Registry Services :3581-91-7
references :
 
4,5-dimethyl-1,3-thiazole
fl. number :15.017
jecfa number :1035
NIST Chemistry WebBook :2396837338
pubchem :203948
Flavornet :3581-91-7
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
4,5-dimethyl-1,3-thiazole
 shrimp thiazole
soluble in :
 alcohol
 ether
insoluble in :
 water
potential blenders :    note
 acetyl pyrrolineFL
2-acetyl-1-pyrrolineFL
2-acetyl-3-methyl pyrazineFL/FR
1-amino-2-propanolCS
 amyl amineFL
 butyl amineFL
(±)-sec-butyl amineFL
isobutyl amineFL
 cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dimethyl dihydrocyclopentapyrazineFL
2,5-dimethyl pyrazineFL/FR
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2-ethoxythiazoleFL
 ethyl amineFL
 filbert heptenoneFL/FR
 fish thiolFL
 furfuryl thioacetateFL
2-heptyl furanFL
 hexyl amineFL
 methyl 2-(methyl thio) acetateFL
2-methyl butyl amineFL
2-methyl piperidineFL
 nutty quinoxalineFL/FR
3-penten-2-oneFL
isopentylidene isopentyl amineFL
 phenethyl amineFL
 propionyl pyrroline 1% in vegatable oil triglycerideFL
2-propionyl-2-thiazolineFL
isopropyl amineFL
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
 triethyl amineFL
 trimethyl amineFL
(R)-N,N,alpha-trimethyl benzyl amineFL
 tripropyl amineFL
potential uses :
 chocolate cocoa
 coffee
 crab
 green
 nut peanut
 scallop
 shrimp
natural occurrence in :    note
 coffee  
 krill  
 peach  
 peanut roasted peanut  
 pork  
 scallops  
 shrimp  

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