Grundinformationen
- CAS
13623-11-5- Standard-SMILES
Cc1nc(C)c(C)s1- InChIKey
BAMPVSWRQZNDQC-UHFFFAOYSA-N- Summenformel
- C6H9NS
- Durchschnittliche Molmasse
- 127,21 g/mol
- Monoisotopische Masse
- 127,04557046
Namen und Bezeichner
- Bevorzugter Name
- 2,4,5-Trimethylthiazole
- IUPAC
- 2,4,5-trimethyl-1,3-thiazole
- Lokaler Name
- 2,4,5-Trimethylthiazol
- Englischer Name
- Trimethyl thiazole
- Summenformel
- C6H9NS
- Molmasse
- 127.21
Namen und Synonyme
2,4,5-Trimethylthiazole13623-11-5Trimethylthiazoletrimethyl-1,3-thiazoleThiazole, 2,4,5-trimethyl-FEMA No. 3325NSC-1706146393273PE0DTXSID5065564CHEBI:78738RefChem:82053DTXCID4034362
Weitere Namen anzeigen
FEMA 33252,4,5-Trimethylthiazole ,99%219185-5GFEMA NUMBER 33252,4,5-TRIMETHYLANILINE
237-107-9trimethyl thiazole2,4,5-Trimethyl-1,3-thiazoleThiazole, trimethyl-MFCD000053322,4,5-trimethyl thiazoletrimethyl-thiazoleTrioctyltrimellitate
Datenbank-Bezeichner
- CAS
13623-11-5- PubChem CID
- 61653
- DTXSID
DTXSID5065564- ChEBI
CHEBI:78738- UNII
- 6393273PE0
- EC Number
- 237-107-9
- Nikkaji
- J40.173K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 41,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 84
Experimentelle und physikochemische Eigenschaften
Density1.011-1.015
Solubility
slightly
Soluble in organic solvents
Miscible at room temperature (in ethanol)
Boiling Point
166.00 to 167.00 °C. @ 717.50 mm Hg
65-67 °C (20 mm Hg)
Refractive Index1.503-1.511
Physical DescriptionClear colourless liquid; cocoa, dark chocolate, nutty, coffee-like odour
Kovats Retention Index
973；974；976；997；997；997；972；973；974；981；1028；965；981；969；969；973.1
990；990；990；1007；997；996；1000；995；997；997；995
1380；1362；1378；1390；1366；1377；1385；1387；1380；1380；1380；1358；1362；1367；1390；1377；1370；1398；1394；1398
Physikochemische Eigenschaften
- Schmelzpunkt
- -32.4 °C · -32.4°C
- Siedepunkt
- 166 · 166-167 °C/717 mmHg (lit.)
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
Warning
H302 (97.6%): 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 1453 reports by companies from 13 notifications to the ECHA C&L Inventory.；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.
Gefahrenhinweise
Regulatory Information
Chemical: Thiazole, 2,4,5-trimethyl-
Regulation (EC) No 1831/2003 (amended)
Thiazole, trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Regulatorische Informationen
Regulatory Information
Chemical: Thiazole, 2,4,5-trimethyl-
Regulation (EC) No 1831/2003 (amended)
Thiazole, trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm；Extracellular
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationThiazole, 2,4,5-trimethyl-: ACTIVE
Anwendungen
OccurrenceReported 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.
Verwenden2,4,5-Trimethylthiazole was employed as internal standard in the gas chromatographic determination of aldehydes in alcoholic beverages.
Darstellung
synthetischeBy decarboxylation of 2,4-dimethylthiazole-5-acetic acid; by reacting acetamide and phosphorous pentasulfide with methyl-α-bromoethyl ketone.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
3
Notizen zur Verbindung
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