Vinylbenzoat
Vinyl benzoate
Grundinformationen
- CAS
769-78-8- Standard-SMILES
C=COC(=O)c1ccccc1- InChIKey
KOZCZZVUFDCZGG-UHFFFAOYSA-N- Summenformel
- C9H8O2
- Durchschnittliche Molmasse
- 148,16 g/mol
- Monoisotopische Masse
- 148,05242949
Überblick
Vinyl benzoate is an enoate ester obtained by the formal condensation of the carboxy group of benzoic acid with ethenol. Metabolite observed in cancer metabolism. It has a role as a human metabolite.
Namen und Bezeichner
- Bevorzugter Name
- Vinyl benzoate
- IUPAC
- ethenyl benzoate
- Lokaler Name
- Vinylbenzoat
- Englischer Name
- Vinyl benzoate
- Summenformel
- C9H8O2
- Molmasse
- 148.16
Namen und Synonyme
Vinyl benzoate769-78-8ethenyl benzoateBenzoic acid, ethenyl esterBENZOIC ACID, VINYL ESTERVinylester kyseliny benzooveVinylester kyseliny benzoove [Czech]BRN 2041125F1E7C1GGKUNSC 2296EINECS 212-214-3AI3-24554
Weitere Namen anzeigen
BENZOIC ACID VINYL ESTERBenzoic acid vinylVinyl Benzoate VINYL BENZOATE, 99+%VINYL BENZOATE, STAB.Benzoic Acid Ethenyl esterVinylBenzoate(stabilizedwithMEHQ)>
DTXSID50227700NSC-2296CHEBI:842794-09-00-00295 (Beilstein Handbook Reference)Benzoic acid, ethenyl ester (9CI)RefChem:901907DTXCID60150191212-214-3
Datenbank-Bezeichner
- CAS
769-78-8- PubChem CID
- 13037
- DTXSID
DTXSID50227700- ChEMBL
CHEMBL2260720- ChEBI
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 146
Physikochemische Eigenschaften
- Schmelzpunkt
- -32 °C · -32 °C
- Siedepunkt
- 95 · 95-96 °C/20 mmHg (lit.)
- Dichte
- 1.07 g/mL · 1.07 g/mL at 25 °C (lit.)
- Dampfdruck
- 0.4 mm · 0.4 mm Hg ( 25 °C)
- Brechungsindex
- 20 · n20/D 1.529(lit.)
- Flammpunkt
- 180 °F · 180 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Soluble in methanol
- Aggregatzustand
- Liquid
- Farbe
- Colorless to Almost colorless
- Wichte
- 1.07 · 1.07
- BRN
- 2041125 · 2041125
- InChI
- 1S/C9H8O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2-7H,1H2
- InChIKey
- KOZCZZVUFDCZGG-UHFFFAOYSA-N
- SMILES
- C=COC(=O)c1ccccc1
- LogP
- 2.8 at · 2.8 at 25℃
- CAS Datenbank
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.
Warning
H315 (93.6%): 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)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzoic acid, ethenyl ester
REACH registered substance: Vinyl benzoate (EC: 212-214-3)
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesSkin Irrit. 2 (93.6%)
Sicherheitsdaten
- wgk
- 2
- ridadr
- NA 1993 / PGIII
- hs_code
- 2916.31.1190
- RTECS-Nr.
- DI1050000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
Chemie und Industrie
Anwendungen
VerwendenVINYL BENZOATE is a polymer monomer raw material that can be used in studies of polymerisation or copolymerisation reactions. At 79.6°C, block polymerisation and solution polymerisation of vinyl benzoate were carried out using benzoyl peroxide and azobisisobutyronitrile as initiators. The polymerisation rate is directly proportional to the monomer concentration and to the square root of the initiator concentration. The polymerisation reaction proceeds within the normal range; however, as the conversion increases, the reaction rate also increases, which may be due to polymer-mediated transfer[1]. The resulting poly(vinyl benzoate) is widely used in adhesives and coatings, and serves as a film-forming agent in the production of films and packaging materials.
VerwendenIt is used as chemical reagent and pharmaceutical intermediates.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: Vinyl benzoate is an enoate ester obtained by the formal condensation of the carboxy group of benzoic acid with ethenol. Metabolite observed in cancer metabolism. It has a role as a human metabolite.
Zugehörige Reaktionen
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Notizen zur Verbindung
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