Grundinformationen
- Standard-SMILES
c1ccc([C@@H]2CO2)cc1- InChIKey
AWMVMTVKBNGEAK-QMMMGPOBSA-N- Summenformel
- C8H8O
- Durchschnittliche Molmasse
- 120,15 g/mol
- Monoisotopische Masse
- 120,05751487
Namen und Bezeichner
- Bevorzugter Name
- (+)-Styrene oxide
- IUPAC
- (2R)-2-phenyloxirane
- Lokaler Name
- (R)-(Epoxyethyl)benzol
- Englischer Name
- (R)-Styrene oxide
- Summenformel
- C8H8O
- Molmasse
- 120.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
20780-53-4- PubChem CID
- 114705
- DTXSID
DTXSID401349483- ChEMBL
CHEMBL1235743- ChEBI
CHEBI:45389- UNII
- 0HB27D5MRW
- EC Number
- 606-637-6
- Nikkaji
- J471.947F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 12,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 94
Physikochemische Eigenschaften
- Schmelzpunkt
- -37 °C · -37 °C
- Siedepunkt
- 89 · 89-90 °C23 mm Hg(lit.)
- Dichte
- 1.051 g/mL · 1.051 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.535
- Flammpunkt
- 175 °F · 175 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform
- Aggregatzustand
- Liquid
- Farbe
- Clear yellow
- Explosionsgrenze
- 22 % · ~22%
- Wasserlöslichkeit
- insoluble
- BRN
- 1984 · 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 · 20780-53-4(CAS DataBase Reference)
- NIST chemische Informationen
- Benzene, (epoxyethyl)-, (R)-(20780-53-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H312 (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.
Gefahrenhinweise
Regulatory Information
Chemical: Oxirane, phenyl-, (R)-
(R)-Styrene oxide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (98.2%);Eye Irrit. 2 (100%);Carc. 1B (100%)
Acute toxicity - category 4;Eye irritation - category 2A;Skin sensitisation - category 1;Carcinogenicity - category 1B
Regulatorische Informationen
Regulatory Information
Chemical: Oxirane, phenyl-, (R)-
(R)-Styrene oxide: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 10
- wgk
- 3
- ridadr
- 2810
- hs_code
- 29109000
- RTECS-Nr.
- CZ9625010
- risk_code
- 45-21-36
- hazard_code
- T
- safety_code
- 53-45
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 4 DermalCarc. 1BEye Irrit. 2
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
Anwendungen
VerwendenMain metabolite of Styrene (S687790), catalyzed by epoxide hydrolase.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: The (R)-enantiomer of styrene oxide.
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