1-(Thiazol-2-yl)ethan-1-on
2-Acetylthiazole
Grundinformationen
- CAS
24295-03-2- Standard-SMILES
CC(=O)c1nccs1- InChIKey
MOMFXATYAINJML-UHFFFAOYSA-N- Summenformel
- C5H5NOS
- Durchschnittliche Molmasse
- 127,17 g/mol
- Monoisotopische Masse
- 127,00918496
Überblick
2-Acetylthiazole is an aromatic ketone.
Namen und Bezeichner
- Bevorzugter Name
- 2-Acetylthiazole
- IUPAC
- 1-(1,3-thiazol-2-yl)ethanone
- Lokaler Name
- 1-(Thiazol-2-yl)ethan-1-on
- Englischer Name
- 2-Acetylthiazole
- Summenformel
- C5H5NOS
- Molmasse
- 127.16
Namen und Synonyme
2-Acetylthiazole24295-03-21-(1,3-Thiazol-2-yl)ethan-1-one1-(1,3-Thiazol-2-yl)ethanoneEthanone, 1-(2-thiazolyl)-Ketone, methyl 2-thiazolyl1-(Thiazol-2-yl)ethan-1-oneMethyl 2-thiazolyl ketone2-Thiazolyl methyl ketoneFEMA No. 3328DTXSID003016216IGS5268I
Weitere Namen anzeigen
2-AcetylthiazolFEMA 3328AcetylthiazoleFEMA NUMBER 33282-acetylthiazoneTHIAZOLE-2-ACETYL2-Acetylo thiazole
DTXCID8010162RefChem:85013246-134-51-thiazol-2-yl-ethanone2-ACETYL THIAZOLEMFCD000053241-(thiazol-2-yl)ethanoneThiazole, 2-acetyl
Datenbank-Bezeichner
- CAS
24295-03-2- PubChem CID
- 520108
- DTXSID
DTXSID0030162- ChEMBL
CHEMBL1589555- ChEBI
CHEBI:173474- UNII
- 16IGS5268I
- EC Number
- 246-134-5
- Nikkaji
- J45.590C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 58,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 105
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (2-Acetylthiazole) -> IFRA transparency List
Food AdditivesANTIOXIDANT, FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, PROCESSING AID, SURFACE-FINISHING AGENT -> FDA Substance added to food
Density1.225-1.229
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; Soluble in fats, oils, most organic solvents
Miscible at room temperature (in ethanol)
Boiling Point
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
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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.
Gefahrenhinweise
Regulatory Information
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%)
Sicherheitsdaten
- F
- 13
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3334
- hs_code
- 29341000
- risk_code
- 22-36-43-36/37/38
- hazard_code
- Xn,Xi
- hazard_note
- Irritant/Stench
- safety_code
- 26-36/37-24/25-36
- hazard_class
- STENCH
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
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
Anwendungen
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.
Verwenden2-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.
Darstellung
synthetische2-Acetylthiazole is formed by oxidation of the corresponding carbinol using dichromate.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
25
Notizen zur Verbindung
Wird geladen…