Encyclopedia / Flavor & Fragrance Intermediates / Heterocyclic compounds / Pharmaceutical Intermediates

2-Acetylthiazole

CAS：24295-03-2
MW:127.161
MF：C5H5NOS

2-Acetylthiazole, with the chemical formula C6H7NOS and CAS registry number 24295-03-2, is a compound known for its distinct odor and flavor. This yellow liquid, also referred to as 2-Acetyl-1,3-thiazole, is characterized by its acetyl and thiazole functional groups. It is commonly used as a flavoring agent in the food industry, adding a roasted or popcorn-like aroma to various products. Additionally, 2-Acetylthiazole has applications in the fragrance industry, where it is used to create scents reminiscent of roasted coffee or bread. Its unique sensory properties make it a valuable ingredient in the development of savory and bakery flavors.

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2-Acetylthiazole

1.2 Synonyms: 1-(1,3-Thiazol-2-yl)ethan-1-one; 1-(1,3-Thiazol-2-yl)ethanone; 1-(2-thiazolyl)-ethanon; 1-(2-Thiazolyl)ethanone; 1-(2-thiazolyl)-ethanone; 1-(Thiazol-2-yl)ethanone; 2-Acetyl-1,3-thiazole; 2-Acetylthiazol; 2-Thiazolylmethylketone; Acetylthiazole; Ethanone, 1-(2-thiazolyl)-; Ketone, methyl 2-thiazolyl; Methyl 2-thiazolyl ketone; THIAZOLE-2-ACETYL;

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1.3 CAS No.: 24295-03-2

1.4 CID: 520108

1.5 EINECS: 246-134-5

1.6 Molecular Formula: C5H5NOS

1.7 Inchi: InChI=1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3

1.8 InChkey: MOMFXATYAINJML-UHFFFAOYSA-N

1.9 Canonical Smiles: CC(=O)C1=NC=CS1

1.10 Isomers Smiles: CC(=O)C1=NC=CS1

2. Properties

2.1 Appearance: clear, colorless

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: white to light yellow crystal powde

2.4 Color/Form: White to slightly yellow

2.5 Physical: Solid

2.6 pKa: 0.05±0.10(Predicted)

2.7 Water Solubility: Soluble

2.8 Stability: Stable under normal temperatures and pressures.

2.9 StorageTemp: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.

3. Use and Manufacturing

3.1 Description

2-Acetylthiazole, with the chemical formula C6H7NOS, has the CAS number 24295-03-2. It appears as a colorless to pale yellow liquid with a strong, roasted, nutty odor. The basic structure of 2-Acetylthiazole consists of a thiazole ring with an acetyl group attached to it. This compound is sparingly soluble in water. Safety information regarding 2-Acetylthiazole is not available.

Applicable Fields

Flavor and Fragrance: 2-Acetylthiazole is commonly used in the flavor and fragrance industry. Its purpose in this field is to provide a roasted, nutty aroma and taste to various food products. The mechanism of action in flavor and fragrance involves the interaction of 2-Acetylthiazole with taste and olfactory receptors, enhancing the sensory experience.

Chemical Synthesis: This compound is also utilized in chemical synthesis processes. Its purpose in this field involves its ability to act as a building block or starting material for the synthesis of other organic compounds. The mechanism of action in chemical synthesis depends on the specific reaction and desired product.

Storage

Conditions: Store in a cool and dry place.

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3.2 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 936 companies from 13 notifications to the ECHA C&L Inventory.

Reported as not meeting GHS hazard criteria by 113 of 936 companies. For more detailed information, please visit ECHA C&L website

Of the 12 notification(s) provided by 823 of 936 companies with hazard statement code(s):

H302 (99.64%): Harmful if swallowed [Warning Acute toxicity, oral]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P264, P270, P301+P312, P330, and P501

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4. Safety and Handling

4.1 Sensitive: Stench

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

Predict 1H proton NMR

Mass spectrum (electron ionization)

7. Synthesis Route

24295-03-2Total: 15 Synthesis Route

87830-87-3

24295-03-2 190 Suppliers

40982-30-7 6 Suppliers

24295-03-2 190 Suppliers

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8. Precursor and Product

precursor:

134271-26-4

925-90-6

1452-16-0

50-81-7

15679-09-1

134271-24-2

14527-42-5

134271-23-1

40982-30-7

288-47-1

87830-87-3

product:

306935-40-0

212621-63-1

912848-91-0

200440-13-7

166196-73-2

40982-30-7

432047-36-4

191729-27-8

9. Computed Properties

Molecular Weight：127.161g/mol
Molecular Formula：C₅H₅NOS
Compound Is Canonicalized：True
Exact Mass：1
XLogP3-AA：127.00918496
Monoisotopic Mass：127.00918496
Complexity：105
Rotatable Bond Count：1
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：58.2
Heavy Atom Count：：8
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcYBiIABAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgQAAAAACATFwgSugRIIEAisAJA3RAAA8KBTCjhIQAy4IAAAAAAgACAEAAAAAACgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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11. Related Questions

: What are the applications and chemical transformations of 2-Acetylthiazole?2-Acetylthiazole, also known as 2-Acetylthiazole, is a white to light yellow solid powder at room temperature and pressure. As a starting material or intermediate in organic synthesis, 2-Acetylthiazol..

12. Realated Product Infomation