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4,5-dimethyl thiazole

Chemical Structure

General Material Information

Preferred name 4,5-dimethyl thiazole
Trivial Name 4,5-Dimethylthiazole
Short Description 4,5-dimethylthiazole
Formula C5 H7 N S
CAS Number 3581-91-7
FEMA Number 3274
Flavis Number 15.017
ECHA Number 222-703-3
FDA UNII U3RP5I088G
Nikkaji Number J45.577F
Beilstein Number 0105694
MDL MFCD00005336
COE Number 11606
xLogP3-AA 1.80 (est)
NMR Predictor External link
JECFA Food Flavoring 1035 4,5-dimethylthiazole
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 3581-91-7 ; 4,5-DIMETHYLTHIAZOLE
Synonyms
  • 4,5-dimethyl thiazole, kosher
  • 4,5-dimethyl-1,3-thiazole
  • dimethyl-4,5 thiazole
  • 4,5-dimethylthiazole
  • 4,5-dimethythiazole
  • shrimp thiazole
  • thiazole, 4,5-dimethyl-
  • 4,5-dimethyl-1,3-thiazole
  • 4,5-Dimethylthiazole

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB32976
FooDB:FDB010963
Export Tariff Code:2934.10.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 113.18279266357
Specific gravity @ 25 °C
Pounds per Gallon 8.779 to 9.028
Specific gravity @ 25 °C
Pounds per Gallon 8.879 to 8.92
Refractive Index 1.51 to 1.53 @ 20 °C
Refractive Index 1.516 to 1.524 @ 20 °C
Melting Point 83 to 84°C @ 760 mm Hg
Boiling Point 157 to 159°C @ 760 mm Hg
Vapor Pressure 3.456 mmHg @ 25 °C
Vapor Density 3.8
Flash Point TCC Value 51.67 °C TCC
logP (o/w) 1.184 est
Solubility
alcohol Yes
ether Yes
water, 1750 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fishy
roasted, nutty, fishy, green, shellfish, ammoniacal, seafood, savory
General comment At 0.10 % in dipropylene glycol. roasted nutty fishy green boiled shrimp
Mosciano, Gerard P&F 22, No. 3, 47, (1997) Fishy, amine and pyridine-like with shrimp and savory nuances
Flavor Type: Fishy
fishy, earthy, molasses, savory
Mosciano, Gerard P&F 22, No. 3, 47, (1997) At 5.00 ppm. Fishy, pyidine-like with molasses and savory nuances
Used in condiments, soups and sauces at 20ppm, in bakery and confectionery at 10ppm. Nutty

Occurrences

Potential Uses

Applications
Flavoring purposes Bakery, Chocolate cocoa, Coffee, Crab, Green, Peanut, Scallop, Prawn, Soup
Other purposes Condiment, Confection

Safety Information

Safety information

Preferred SDS: View
European information :
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.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
gavage-rat LD50 [sex: M,F] 964.90 mg/kg
(Piccirillo et al., 1982a)

oral-rat LD50 960 mg/kg
SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 95, 1990.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for 4,5-dimethyl thiazole usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.18 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.40 (μg/capita/day)
Structure Class: II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 5
Click here to view publication 5
average usual ppmaverage maximum ppm
baked goods: -10.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -20.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -10.00000
fruit ices: -10.00000
gelatins / puddings: -6.00000
granulated sugar: --
gravies: -20.00000
hard candy: -10.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -20.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -20.00000
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 21: Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30. (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 76, (FGE.76)[1] - Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29, miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 21, Revision 1 (FGE.21Rev1): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 Miscellaneous substances from chemical group 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 76, Revision 1 (FGE.76Rev1): Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 and miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21Rev3
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):3581-91-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62510
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1992
WGK Germany:3
4,5-dimethyl-1,3-thiazole
Chemidplus:0003581917
RTECS:XJ4380000 for cas# 3581-91-7