4,5-Dimethylthiazole (HCID 62510)

Überblick

4,5-Dimethylthiazole is a member of thiazoles.

Namen und Bezeichner

Bevorzugter Name: 4,5-Dimethylthiazole
IUPAC: 4,5-dimethyl-1,3-thiazole
Lokaler Name: 4,5-Dimethylthiazol
Englischer Name: 4,5-Dimethylthiazole
Summenformel: C5H7NS
Molmasse: 113.18

Namen und Synonyme

4,5-DIMETHYLTHIAZOLE3581-91-74,5-Dimethyl-1,3-thiazoleThiazole, 4,5-dimethyl-4,5-dimethyl thiazoleFEMA No. 3274EINECS 222-703-3BRN 0105694U3RP5I088GDTXSID401893484-27-00-00986 (Beilstein Handbook Reference)4,5-DIMETHYL THIAZOLE [FHFI]

Weitere Namen anzeigen

FEMA 3274FEMA NUMBER 32744,5-dimethyl-thiazol4,5-Dimethylthiazole>4,5-Dimethylthiazole,98%4,5-Dimethylthiazole100g4,5-Dimethylthiazole ,99%

RefChem:507854DTXCID70111839222-703-34,5-dimethyl-thiazoleMFCD000053362,2-DimethylthiazoleSCHEMBL532644,5-Dimethylthiazole, 97%

Datenbank-Bezeichner

CAS: 3581-91-7
PubChem CID: 62510
DTXSID: DTXSID40189348
ChEBI: CHEBI:193947
UNII: U3RP5I088G
EC Number: 222-703-3
Nikkaji: J45.577F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 41,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 65,1

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDiamagnetic susceptibility

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.067-1.072

Flavoring AgentsEU Flavoring substances

Solubility · 2 Einträge

Soluble in ether

Miscible at room temperature (in ethanol)

Boiling Point · 2 Einträge

157.00 to 159.00 °C. @ 760.00 mm Hg

158 °C (742 mm Hg)

Physikochemische Eigenschaften

Schmelzpunkt: 83 · 83-84 C
Siedepunkt: 158 °C/742 · 158 °C/742 mmHg (lit.)
Dichte: 1.07 g/mL · 1.07 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.521(lit.)
FEMA: 3274 · 3274 | 4,5-DIMETHYLTHIAZOLE
Flammpunkt: 124 °F · 124 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: 1 · pK1:3.73 (25°C,μ=0.1)
Wichte: 1.07 · 1.070
Geruch (Odor): 0.1 % · at 0.10 % in dipropylene glycol. roasted nutty fishy green boiled shrimp
Geruchsart: fishy
Biologische Quelle: synthetic
JECFA Number: 1035 · 1035
BRN: 105694 · 105694
Major Application: flavors and fragrances
InChI: 1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3
InChIKey: UWSONZCNXUSTKW-UHFFFAOYSA-N
SMILES: Cc1ncsc1C
LogP: 2.09 · 2.09
CAS Datenbank: 3581 · 3581-91-7(CAS DataBase Reference)
NIST chemische Informationen: 4 · Thiazole, 4,5-dimethyl-(3581-91-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (98.1%): 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 1451 reports by companies from 14 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Thiazole, 4,5-dimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Thiazole, 4,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (98.1%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29349990
RTECS-Nr.: XJ4380000
risk_code: 10-22-37/38-41-36/37/38
hazard_code: Xn,Xi,F
safety_code: 16-26-39-37/39-36/37/39
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 2 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Anwendungen

OccurrenceReported found in peanuts, toasted oats, malt, peach, pork, coffee, krill, shrimp and scallops

Verwenden4,5-Dimethylthiazole was used in the preparation of 4-(bromomethyl)-5-(dibromomethyl)thiazole.

Darstellung

synthetischeFrom methyl-α-bromoethyl ketone; by oxidation of 2-mercaptothiazoles with hydrogen peroxide in aqueous solution; from 2-mercapto-4,5-dimethylthiazole.