ChemicalBook--->CAS DataBase List--->13623-11-5

13623-11-5

13623-11-5 Structure

13623-11-5 Structure
IdentificationMore
[Name]

Trimethyl thiazole
[CAS]

13623-11-5
[Synonyms]

2,4,5-TRIMETHYLTHIAZOLE
FEMA 3325
FEMA NUMBER 3325
TRIMETHYL(2,4,5-) THIAZOLE
TRIMETHYLTHIAZOLE
2,4,5-Trimethyl-1,3-thiazole
2,4,5-trimethyl-thiazol
2 4 5-TRIMETHYLTHIAZOLE 98+%
trimethylthiazole,2,4,5-trimethylthiazole
Thiazole, trimethyl-
2,4,5-TRIMETHYL THIAZOLE FEMA NO.3325
2,4,5-TRIMETHYLANILINE
Thiazole, 2,4,5-trimethyl-
2,4,5-Trimethylthiazole ,99%
[EINECS(EC#)]

237-107-9
[Molecular Formula]

C6H9NS
[MDL Number]

MFCD00005332
[Molecular Weight]

127.21
[MOL File]

13623-11-5.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless to yellow liquid
[Melting point ]

-32.4°C
[Boiling point ]

166-167 °C/717 mmHg (lit.)
[density ]

1.013 g/mL at 25 °C(lit.)
[FEMA ]

3325
[refractive index ]

n20/D 1.509(lit.)
[Fp ]

133 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

liquid
[pka]

pK1:4.55 (25°C,μ=0.1)
[color ]

Light orange to Yellow to Green
[Specific Gravity]

1.311.013
[Odor]

at 1.00 % in dipropylene glycol. musty nutty vegetable cocoa hazelnut chocolate coffee
[biological source]

synthetic
[Odor Type]

chocolate
[Detection Methods]

GC
[JECFA Number]

1036
[BRN ]

107148
[Major Application]

flavors and fragrances
[InChI]

1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3
[InChIKey]

BAMPVSWRQZNDQC-UHFFFAOYSA-N
[SMILES]

Cc1nc(C)c(C)s1
[LogP]

2.02
[CAS DataBase Reference]

13623-11-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Thiazole, 2,4,5-trimethyl-(13623-11-5)
[EPA Substance Registry System]

13623-11-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
S7/9:Keep container tightly closed and in a well-ventilated place .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29339900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetamide-->2,4-Dimethylthiazole-->Thiazole, 5-ethyl-2-methyl--->5-ethyl-2,4-dimethylthiazole-->1,2,4,5-Tetrathiane, 3,6-dimethyl--->2,5-Dihydro-alpha-2,4,5-tetramethyl-2-thiazolemethanethiolo]-->(2,4-Dimethyl-thiazol-5-yl)-acetic acid-->Tetramethylpyrazine-->2,4,5-Trimethyloxazole-->2,4,5-TriMethyl-4,5-dihydrothiazole-->5-Bromo-2,4-dimethyl-1,3-thiazole-->N-(1-methyl-2-oxopropyl)acetamide-->CHLORIDE STANDARD-->3-Ethyl-2,5-diMethylpyrazine-->3-Bromo-2-butanone
[Preparation Products]

2,5-Dihydrothiophene-->2-Ethyl-4-methyl thiazole
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Trimethyl thiazole(13623-11-5).msds
Questions And AnswerBack Directory
[Description]

2,4,5-trimethyl thiazole has a cocoa, dark chocolate, nutty, coffee note. It is naturally found in cooked potatoes, cooked meat, coffee, black tea, and herbs. It is used as a flavor ingredient in foods.
[References]

[1] George A. Burdock, Encyclopedia of Food and Color Additives, Volume 3, 1997
[2] Erich Ziegler and Herta Ziegler, Flavourings: Production, Composition, Applications, Regulations, 1998
Hazard InformationBack Directory
[Chemical Properties]

2,4,5-Trimethyl thiazole has a cocoa, dark chocolate, nutty, coffee taste.
[Chemical Properties]

clear colourless to yellow liquid
[Occurrence]

Reported found in kohlrabi, French fried potato, boiled and cooked potato, fried chicken, raw chicken, boiled and cooked beef, grilled and roasted beef, lamb and mutton liver, boiled and cooked cured pork, coffee, black tea, coriander seed, katsuobushi (dried bonito), cooked shrimp and other natural sources.
[Uses]

2,4,5-Trimethylthiazole was employed as internal standard in the gas chromatographic determination of aldehydes in alcoholic beverages.
[Definition]

ChEBI: A 1,3-thiazole that is thiazole in which all three hydrogens are replaced by methyl groups. A Maillard reaction product, it is a flavour component in many cooked foods, including cooked meats and potatoes.
[Preparation]

By decarboxylation of 2,4-dimethylthiazole-5-acetic acid; by reacting acetamide and phosphorous pentasulfide with methyl-α-bromoethyl ketone.
[Aroma threshold values]

Detection: 50 ppb
[Taste threshold values]

Taste characteristics at 10 ppm: nutty, cocoa and green vegetative-like with roasted earthy nuances.
[General Description]

2,4,5-Trimethylthiazole is a volatile oxidant and was isolated during microwave-induced L-cysteine/D-glucose Maillard model system.
Spectrum DetailBack Directory
[Spectrum Detail]

Trimethyl thiazole(13623-11-5)MS
Trimethyl thiazole(13623-11-5)1HNMR
Trimethyl thiazole(13623-11-5)13CNMR
Trimethyl thiazole(13623-11-5)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,4,5-Trimethylthiazole, 98%(13623-11-5)
[Sigma Aldrich]

13623-11-5(sigmaaldrich)
[TCI AMERICA]

2,4,5-Trimethylthiazole,>95.0%(GC)(13623-11-5)
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