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2-isobutyl thiazole

Chemical Structure

General Material Information

Preferred name 2-isobutyl thiazole
Trivial Name 2-Isobutylthiazole
Short Description 2-isobutylthiazole
Formula C7 H11 N S
CAS Number 18640-74-9
FEMA Number 3134
Flavis Number 15.013
ECHA Number 242-470-1
FDA UNII 7N03TDY75D
Nikkaji Number J45.613F
MDL MFCD00005334
COE Number 11618
xLogP3-AA 2.60 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1034 2-isobutylthiazole
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
Synonyms
  • 2-iso butyl-1,3-thiazole
  • iso butyl-2 thiazole
  • 2-iso butylthiazole
  • iso butylthiazole
  • 2-(2-methyl propyl) thiazole
  • 2-(2-methylpropyl)-1,3-thiazole
  • 2-(2-methylpropyl)thiazole
  • thiazole, 2-(2-methylpropyl)-
  • thiazole, 2-isobutyl-
  • thiazyl (PFW)
  • thiazyl 1% DPG (PFW)
  • thiazyl 1% in DPG (PFW)
  • tomato leaf thiazole
  • 2-(2-methylpropyl)-1,3-thiazole
  • 2-(2-Methylpropyl)thiazole
  • 2-Isobutylthiazole
  • 2-Isobutyl-1,3-thiazole
  • NSC 290430

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

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Literature & References

2-(2-methylpropyl)-1,3-thiazole
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:18640-74-9
Pubchem (cid):62725
Pubchem (sid):135021306
Flavornet:18640-74-9
Pherobase:View
Publications by PubMed
Impact of different distribution scenarios and recommended storage conditions on flavor related quality attributes in ripening fresh tomatoes.
Dynamics of odorant binding to thin aqueous films of rat-OBP3.
Flavor release of the tomato flavor enhancer, 2-isobutylthiazole, from whey protein stabilized model dressings.
Population pharmacokinetic model for a novel oral hypoglycemic formed in vivo: comparing the use of active metabolite data alone versus using data of upstream and downstream metabolites.
Discovery of a series of phosphonic acid-containing thiazoles and orally bioavailable diamide prodrugs that lower glucose in diabetic animals through inhibition of fructose-1,6-bisphosphatase.
Fructose-1,6-bisphosphatase regulates glucose-stimulated insulin secretion of mouse pancreatic beta-cells.
P2Y2 receptor-Gq/11 signaling at lipid rafts is required for UTP-induced cell migration in NG 108-15 cells.
Comparison of tomatillo and tomato volatile compounds in the headspace by selected ion flow tube mass spectrometry (SIFT-MS).
The peripheral benzodiazepine receptor ligand 1-(2-chlorophenyl-methylpropyl)-3-isoquinoline-carboxamide is a novel antagonist of human constitutive androstane receptor.
Studies on the aroma of five fresh tomato cultivars and the precursors of cis- and trans-4,5-epoxy-(E)-2-decenals and methional.
A potential endogenous ligand for the aryl hydrocarbon receptor has potent agonist activity in vitro and in vivo.
MB06322 (CS-917): A potent and selective inhibitor of fructose 1,6-bisphosphatase for controlling gluconeogenesis in type 2 diabetes.
Nitric oxide donating nonsteroidal anti-inflammatory drugs induce apoptosis in human prostate cancer cell systems and human prostatic stroma via caspase-3.
First synthesis of an amythiamicin pyridine cluster.
Absolute configuration of 2-sec-butyl-4,5-dihydrothiazole in male mouse urine.
CYP3A induction by N-hydroxyformamide tumor necrosis factor-alpha converting enzyme/matrix metalloproteinase inhibitors use of a pregname X receptor activation assay and primary hepatocyte culture for assessing induction potential in humans.
Differential effects of tomato (Lycopersicon esculentum mill) matrix on the volatility of important aroma compounds.
Addition of heteroaromatics to alkylidenecyclopropanes catalyzed by palladium.
Odorants of different chemical classes interact with distinct odorant binding protein subtypes.
Synthesis and dopamine receptor modulating activity of substituted bicyclic thiazolidine lactam peptidomimetics of L-prolyl-L-leucyl-glycinamide.
Mammalian pheromones VIII Chemical characterization of preorbital gland secretion of grey duiker,Sylvicapra grimmia (Artiodactyla: Bovidae).
Mammalian pheromone studies, VII. Identification of thiazole derivatives in the preorbital gland secretions of the grey duiker, Sylvicapra grimmia, and the red duiker, Cephalophus natalensis.
The odorant-sensitive adenylate cyclase of olfactory receptor cells. Differential stimulation by distinct classes of odorants.

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31862
FooDB:FDB008546
YMDB (Yeast Metabolome Database):YMDB01585
Export Tariff Code:2934.10.0090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 141.23666381836
Specific gravity @ 25 °C
Pounds per Gallon 8.279 to 8.282
Specific gravity @ 20 °C
Pounds per Gallon 8.331 to 8.364
Refractive Index 1.494 to 1.498 @ 20 °C
Refractive Index 1.49 to 1.499 @ 20 °C
Boiling Point 174 to 180°C @ 760 mm Hg
Vapor Pressure 1.091 mmHg @ 25 °C
Vapor Density 4.8
Flash Point TCC Value 57.22 °C TCC
logP (o/w) 1.715 est
Solubility
alcohol Yes
water, 255.2 mg/L @ 25 °C (est) Yes
water No
Stability
stable in most media Unspecified

Organoleptic Properties

Odor Type: Green
green, wasabi, privet, tomato leaf, earthy, vegetable, metallic, musty, waxy
Odor strength high , recommend smelling in a 0.10 % solution or less
Substantivity > 1 hour(s) at 100.00 %
Luebke, William tgsc, (2009) At 1.00 % in dipropylene glycol. green wasabi privet tomato leaf earthy vegetable metallic
Mosciano, Gerard P&F 17, No. 4, 33, (1992) Green, vegetable, musty with a waxy nuance
Flavor Type: Green
green, vegetable, tomato, raw, musty
Mosciano, Gerard P&F 17, No. 4, 33, (1992) At 2.00 ppm. Green, vegetable, tomato-like with raw musty nuances
Effective in enhancing tomato juice at 25-50 ppb. Useful for enhancing Tomato flavor of condiments (e.g., Ketchup). This compound is essential to the flavor of Tomato. Normal use levels in finished consumer product: 0.02-1.0 ppm. Green tomato

Occurrences

Potential Uses

Applications
Odor purposes Apricot, Earth, Floral, Fungus, Green, Musk, Peach, Tomato leaf
Flavoring purposes Tomato, Vegetable
Other purposes Leaf, Vine
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 2-isobutyl thiazole usage levels up to:
0.0800 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.00 (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: 4
Click here to view publication 4
average usual ppmaverage maximum ppm
baked goods: -1.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: -1.00000
hard candy: -1.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: -1.00000
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -1.00000
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 the safety and efficacy of thiazoles, thiophene, thiazoline and thienyl derivatives (chemical group 29): 3-acetyl-2,5-dimethylthiophene when used as a flavouring for all animal species
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

Safety and efficacy of thiazoles, thiophene and thiazoline belonging to chemical group 29 when used as flavourings for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):18640-74-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62725
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
2-(2-methylpropyl)-1,3-thiazole
Chemidplus:0018640749
RTECS:XJ5103412 for cas# 18640-74-9