2-Acetylthiazole

HCID 520108CAS 24295-03-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)c1nccs1
InChIKey
MOMFXATYAINJML-UHFFFAOYSA-N
Molecular formula
C5H5NOS
Average molar mass
127.17 g/mol
Monoisotopic mass
127.00918496

Names & identifiers

Preferred name
2-Acetylthiazole
IUPAC
1-(1,3-thiazol-2-yl)ethanone
English name
2-Acetylthiazole
Molecular formula
C5H5NOS
Molecular weight
127.16

Names & synonyms

2-Acetylthiazole24295-03-21-(1,3-Thiazol-2-yl)ethan-1-one1-(1,3-Thiazol-2-yl)ethanoneEthanone, 1-(2-thiazolyl)-1-(Thiazol-2-yl)ethan-1-oneMethyl 2-thiazolyl ketoneKetone, methyl 2-thiazolyl2-Thiazolyl methyl ketoneFEMA No. 3328DTXSID003016216IGS5268I
Show more names
FEMA 3328AcetylthiazoleFEMA NUMBER 33282-acetylthiazoneTHIAZOLE-2-ACETYL2-Acetylo thiazole
DTXCID8010162RefChem:85013246-134-51-thiazol-2-yl-ethanone2-ACETYL THIAZOLEMFCD00005324Thiazole, 2-acetyl2-acetylthiazol

Database identifiers

CAS
24295-03-2
PubChem CID
520108
DTXSID
DTXSID0030162
ChEMBL
CHEMBL1589555
ChEBI
CHEBI:173474
UNII
16IGS5268I
EC Number
246-134-5
Nikkaji
J45.590C

Properties

Computed structural properties

XLogP
1
Topological polar surface area
58.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
8

Experimental & physicochemical properties

Density1.225-1.229
Solubility · 2 items

Insoluble in water; Soluble in fats, oils, most organic solvents

Miscible at room temperature (in ethanol)

Boiling Point · 2 items

89.00 to 91.00 °C. @ 12.00 mm Hg

89-91 °C (12 mm Hg)

Melting Point64.5 - 65.5 °C
Refractive Index1.543-1.550
Physical Description · 2 items

Solid

Clear, colourless to pale yellow, oily liquid; cocoa, hazelnut, popcorn, bread-like odour

Physicochemical properties

Melting point
65.5 °C · 65.5°C
Boiling point
89 · 89-91 °C/12 mmHg (lit.)
Density
1.227 g/mL · 1.227 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.548(lit.)
FEMA
3328 · 3328 | 2-ACETYLTHIAZOLE
FLAVIS Number
15.02 · 15.020 | 2-Acetylthiazole

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 9.7% (153 of 1570) of reports.

Warning

H302 (90.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1570 reports by companies from 13 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 153 of 1570 reports by companies.；There are 12 notifications provided by 1417 of 1570 reports by companies with hazard statement code(s).；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. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: Ethanone, 1-(2-thiazolyl)-

Regulation (EC) No 1831/2003 (amended)

Ethanone, 1-(2-thiazolyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Ethanone, 1-(2-thiazolyl)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (90.1%)

Regulatory information

Regulatory Information · 3 items

Chemical: Ethanone, 1-(2-thiazolyl)-

Regulation (EC) No 1831/2003 (amended)

Ethanone, 1-(2-thiazolyl)-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F
13
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
3334
hs_code
29341000

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm；Extracellular

Uses & manufacturing

Use Classification · 6 items

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationEthanone, 1-(2-thiazolyl)-: ACTIVE
Applications · 3 items

Occurrence2-Acetylthiazole is naturally found in raw asparagus, cooked asparagus, kohlrabi, cooked or boiled potatoes, turkey (roasted), raw chicken, boiled and cooked beef, grilled and roasted beef, pork liver, beer, Finnish whiskey, heated beans, other varieties of mushroom, rice bran, maize, and other natural sources.

Uses2-Acetylthiazole can be used as a flavoring agent in food industries. It may be used as a food additive in the preparation of ′fragrant′ rice. It also was used in the preparation of triazolothiazoles, chiral alcohols and in aldol condensation reactions.

General Description2-Acetylthiazole is a volatile flavoring substance generally formed by the Maillard reaction between an amino acid and carbonyl compounds. It is reported to occur in canned sweet corn products, cooked pine mushroom, cooked asparagus and roasted beef.

Preparation methods

Preparation2-Acetylthiazole is formed by oxidation of the corresponding carbinol using dichromate.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
枣庄九星生物科技有限公司0632-3759569 13589608009
宁夏信达昌科技有限公司13832371507

Additional notes

DefinitionChEBI: 2-Acetylthiazole is an aromatic ketone.

Related reactions

25 records
New reaction record

Linked notes

Loading…