4-Methylthiazol
4-Methylthiazole
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Grundinformationen
- CAS
693-95-8- Standard-SMILES
Cc1cscn1- InChIKey
QMHIMXFNBOYPND-UHFFFAOYSA-N- Summenformel
- C4H5NS
- Durchschnittliche Molmasse
- 99,16 g/mol
- Monoisotopische Masse
- 99,01427016
Überblick
4-methylthiazole is a 1,3-thiazole substituted by a methyl group at position 4. It has a role as a Maillard reaction product.
Namen und Bezeichner
- Bevorzugter Name
- 4-Methylthiazole
- IUPAC
- 4-methyl-1,3-thiazole
- Lokaler Name
- 4-Methylthiazol
- Englischer Name
- 4-Methylthiazole
- Summenformel
- C4H5NS
- Molmasse
- 99.15
Namen und Synonyme
4-METHYLTHIAZOLE693-95-84-Methyl-1,3-thiazoleThiazole, 4-methyl-FEMA No. 3716DTXSID5027300CHEBI:35626NSC-42976X8S174990RDTXCID307300RefChem:99952211-764-1
Weitere Namen anzeigen
MethylthiazoleFEMA 37164-Methyl ThiozoleBRN01052284-methyl-thiazol4-MethylthizaoleFEMA NUMBER 3716METHYLTHIAZOLE, 4-
4-methyl thiazole4-Methyl-ThiazoleMFCD00005340CHEMBL1566946HSDB 5747EINECS 211-764-1NSC 42976BRN 0105228
Datenbank-Bezeichner
- CAS
693-95-8- PubChem CID
- 12748
- DTXSID
DTXSID5027300- ChEMBL
CHEMBL1566946- ChEBI
CHEBI:35626- UNII
- X8S174990R
- EC Number
- 211-764-1
- Nikkaji
- J539H
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 41,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 46,8
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Thiazoles
SpringerMaterials PropertiesCoriolis coupling
LogP
0.97
0.97
OdorGREEN, NUTTY ODOR
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.112 @ 25 MM HG
1.088-1.092
Flavoring AgentsEU Flavoring substances
Solubility
SOL IN WATER, ALCOHOL, ETHER
Slightly soluble in water; Soluble in fats, most organic solvents
Miscible at room temperature (in ethanol)
Boiling Point
132 °C @ 743 MM HG
133.00 to 134.00 °C. @ 760.00 mm Hg
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
H226 (13.8%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1505 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Thiazole, 4-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Thiazole, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] Causes zonal hepatitis and other liver changes in 3-day intermittent intraperitoneal study of rats; [RTECS] An irritant; [Alfa Aesar MSDS] See Benzothiazole.
Hazard Classes and CategoriesFlam. Liq. 3 (13.8%)
Toxikologische Informationen
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Natural Pollution SourcesREPORTED AS NATURALLY OCCURRING IN SOME FOODS. /FROM TABLE/
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Uses
Used as a research chemical and as a chemical intermediate for 4-Cyanothiazole; Reportedly found naturally in certain foods; [HSDB] Used as a flavoring agent; [JECFA]
RESEARCH CHEMICAL
CHEM INT FOR 4-CYANOTHIAZOLE
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
(1979) No Data
(1981) No Data
Methods of ManufacturingPROBABLY BY REACTION OF THIOFORMAMIDE WITH 1-CHLOROPROPANONE
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationThiazole, 4-methyl-: ACTIVE
Anwendungen
Beschreibung4-Methylthiazole has a nutty, green odor.
OccurrenceReported found in cooked asparagus, roasted barley, cooked beef, cocoa, cooked pork, roasted coffee, roasted peanuts, boiled egg, malt, wort and cooked shrimp.
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