HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(R)-(Epoxyethyl)benzol
CgHgO · (r)-benzen · (R)-EPOXYSTYROL · (R)-PHENYLOXIRANE · (R)-STYRENE OXIDE · (+)-Styrene oxide · 2-phenylethen-1-one · (R)-2-phenyl-oxirane
Identifikatoren & physikalische Daten
| CAS No. | 20780-53-4 |
|---|---|
| Summenformel | C8H8O |
| Durchschnittliche Molmasse | 120,15 g/mol |
| Monoisotopische Masse | 120,05751487 g/mol |
| SMILES | c1ccc([C@@H]2CO2)cc1 |
| InChIKey | AWMVMTVKBNGEAK-QMMMGPOBSA-N |
| PubChem CID | 114705 |
| ChEMBL | CHEMBL1235743 |
| ChEBI | CHEBI:45389 |
| EC No. | 606-637-6 |
| DTXSID | DTXSID401349483 |
| Lokaler Name | (R)-(Epoxyethyl)benzol |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94 |
| Schmelzpunkt | -37 °C |
| Siedepunkt | 89-90 °C23 mm Hg(lit.) |
| Dichte | 1.051 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.535 |
| Flammpunkt | 175 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroforminsoluble |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow |
| Explosionsgrenze | ~22% |
| BRN | 1984 |
| InChI | 1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1 |
| InChIKey | AWMVMTVKBNGEAK-QMMMGPOBSA-N |
| SMILES | C1O[C@@H]1c2ccccc2 |
| CAS Datenbank | 20780-53-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, (epoxyethyl)-, (R)-(20780-53-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH312 (98.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H350 (100%): May cause cancer [Danger Carcinogenicity]P203, P264+P265, P280, P302+P352, P305+P351+P338, P317, P318, P321, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 57 reports by companies from 6 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. |
|---|---|
| Regulatorische Informationen | Chemical: Oxirane, phenyl-, (R)-(R)-Styrene oxide: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Phenyloxirane and its isomers: Human health tier II assessment |
| Hazard Classes and Categories | Acute Tox. 4 (98.2%)Eye Irrit. 2 (100%)Carc. 1B (100%)Acute toxicity - category 4Eye irritation - category 2ASkin sensitisation - category 1Carcinogenicity - category 1B |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2810 |
| Zollcode | 29109000 |
| RTECS-Nr. | CZ9625010 |
| R-Sätze (R) | 45-21-36 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) |
Anwendungen & Verwendung
Verwenden
Main metabolite of Styrene (S687790), catalyzed by epoxide hydrolase.