2,4,5-Trimethyloxazol

2,4,5-Trimethyloxazole

HCID 30215
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Grundinformationen

CAS
20662-84-4
Standard-SMILES
Cc1nc(C)c(C)o1
InChIKey
ZRLDBDZSLLGDOX-UHFFFAOYSA-N
Summenformel
C6H9NO
Durchschnittliche Molmasse
111,14 g/mol
Monoisotopische Masse
111,06841391

Namen und Bezeichner

Bevorzugter Name
2,4,5-Trimethyloxazole
IUPAC
2,4,5-trimethyl-1,3-oxazole
Lokaler Name
2,4,5-Trimethyloxazol
Englischer Name
2,4,5-Trimethyloxazole
Summenformel
C6H9NO
Molmasse
111.14

Namen und Synonyme

2,4,5-TRIMETHYLOXAZOLE20662-84-4TrimethyloxazoleOxazole, trimethyl-2,4,5-Trimethyl-1,3-oxazoleOxazole, 2,4,5-trimethyl-trimethyl-1,3-oxazoleEINECS 243-952-4B04PF51WXITRIMETHYLOXAZOLE [FHFI]DTXSID0022274FEMA NO. 4394
Weitere Namen anzeigen
trimethyl-oxazol2,3,5-TRIMETHYLOXAZOLE2,3,4-TRIMETHYLOXAZOLE2,4,5-Thrimethyloxazole
RefChem:442800DTXCID302274FEMA 4394243-952-4MFCD00005308Oxazole, 2,4,5-trimethyl2,4,5-Trimethyl oxazoleUNII-B04PF51WXI

Datenbank-Bezeichner

CAS
20662-84-4
PubChem CID
30215
DTXSID
DTXSID0022274
ChEBI
CHEBI:179309
UNII
B04PF51WXI
EC Number
243-952-4
Nikkaji
J40.167F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
26 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

Density0.956-0.964
Solubility · 2 Einträge

Insoluble in water

Soluble (in ethanol)

Boiling Point · 2 Einträge

133.00 to 134.00 °C. @ 760.00 mm Hg

134 °C

Refractive Index1.438-1.446
Physical DescriptionYellowish liquid; Boiled beef aroma
Kovats Retention Index · 3 Einträge

829；828；826；830；843；843；843；843；829；822；823；827；824

848；852；850；853；846；851；863；857；847；855；856.6；838.8

1188；1193；1193；1197；1193；1224；1190；1188；1215；1200；1200；1206；1200；1200；1209；1209；1179；1200；1204；1214

Physikochemische Eigenschaften

Siedepunkt
133 · 133-134 °C(lit.)
Dichte
0.957 g/mL · 0.957 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.442(lit.)
FEMA
4394 · 4394 | TRIMETHYLOXAZOLE
Flammpunkt
92 °F · 92 °F
storage temp.
2 · Sealed in dry,2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (71.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (74.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (74.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 163 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 · 3 Einträge

Chemical: Oxazole, trimethyl-

Regulation (EC) No 1831/2003 (amended)

Oxazole, trimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Oxazole, trimethyl-: Environment tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (71.8%)；Eye Irrit. 2 (74.2%)；STOT SE 3 (74.2%)

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: Oxazole, trimethyl-

Regulation (EC) No 1831/2003 (amended)

Oxazole, trimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
2
ridadr
UN 1993 3/PG 3
hs_code
29349990
risk_code
10
hazard_code
F
safety_code
16-33-29-3/7/9-24/25

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm；Extracellular

Verwendung und Herstellung

Use Classification · 2 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Anwendungen

OccurrenceReported found in heated beef, cocoa, coffee and cooked pork.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter87 Anbieter

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]
陕西科贝莱药物研发有限公司13119135307 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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