2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol

HCID 725585CAS 103788-65-4

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Grundinformationen

Standard-SMILES: Cc1oc(-c2ccccc2)nc1CCO
InChIKey: JYWHQBLLIBQGCU-UHFFFAOYSA-N
Summenformel: C12H13NO2
Durchschnittliche Molmasse: 203,24 g/mol
Monoisotopische Masse: 203,09462866

Überblick

2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol is a member of 1,3-oxazoles.

Namen und Bezeichner

Bevorzugter Name: 2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol
IUPAC: 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanol
Englischer Name: 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol
Summenformel: C12H13NO2
Molmasse: 203.24

Namen und Synonyme

2-(5-Methyl-2-phenyl-4-oxazolyl)ethanolRefChem:458945103788-65-42-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol2-(5-Methyl-2-phenyloxazol-4-yl)ethanol2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanol2-(5-methyl-2-phenyloxazole-4-yl)ethanol2-(5-methyl-2-phenyl-oxazol-4-yl)-ethanolMFCD001000062-(5-methyl-2-phenyl-oxazol-4-yl)ethanol4-OXAZOLEETHANOL, 5-METHYL-2-PHENYL-4-(2-Hydroxyethyl)-5-methyl-2-phenyloxazol

Weitere Namen anzeigen

MURA-001BUTTPARK 37\06-812-(5-Methyl-2-phenyl-1,3-...5-Methyl-2-phenyl-oxazoleethanol2-(5-methyl-2-phenyloxazol-4-yl)ethan-1-ol

5-Methyl-2-phenyl-oxazoleethanol; 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol; 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethanol; 4-(2-Hydroxyethyl)-5-methyl-2-phenyloxazole;4-(2-hydroxyethyl)-5-methyl-2-phenyl-1,3-oxazoleMaybridge3_000599SCHEMBL979145orb3031052DTXSID00352394CHEBI:194850JYWHQBLLIBQGCU-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 103788-65-4
PubChem CID: 725585
DTXSID: DTXSID00352394
ChEBI: CHEBI:194850
EC Number: 673-134-6
Nikkaji: J1.565.574G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 46,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 192

Physikochemische Eigenschaften

Schmelzpunkt: 72 °C · 72 °C
Siedepunkt: 365.4 · 365.4±34.0 °C(Predicted)
Dichte: 1.146 · 1.146±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 14.36 · 14.36±0.10(Predicted)
Farbe: Pale Beige
CAS Datenbank: 103788 · 103788-65-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.