4-Vinylphenol
Grundinformationen
- CAS
24979-70-2- Standard-SMILES
C=Cc1ccc(O)cc1- InChIKey
FUGYGGDSWSUORM-UHFFFAOYSA-N- Summenformel
- C8H8O
- Durchschnittliche Molmasse
- 120,15 g/mol
- Monoisotopische Masse
- 120,05751487
Überblick
4-hydroxystyrene is a member of the class of phenols that is styrene carrying a hydroxy substituent at position 4. It has a role as a human xenobiotic metabolite and a human urinary metabolite. It derives from a hydride of a styrene.
Namen und Bezeichner
- Bevorzugter Name
- 4-Vinylphenol
- IUPAC
- 4-ethenylphenol
- Englischer Name
- Poly(p-hydroxystyrene)
- Summenformel
- C8H8O
- Molmasse
- 120.15
Namen und Synonyme
4-Vinylphenol4-Hydroxystyrene2628-17-34-ETHENYLPHENOLp-VinylphenolPhenol, 4-ethenyl-p-HydroxystyrenePhenol, P-vinyl-FEMA No. 3739OA7V1SM8YLCHEBI:1883RefChem:527097
Weitere Namen anzeigen
PHSPOLY(4-VINYLPHENOL)Maruzen mMW22000Nsc114470PVP POLYMER4-VINYLPHENOL POLYMERp-Vinylphenol polymerPOLY(P-HYDROXYSTYRENE)POLY(4-HYDROXYSTYRENE)
220-103-64-Vinylphenol, 10 wt.% In propylene glycolMFCD00017593C8H8OCHEMBL349881EINECS 220-103-6UNII-OA7V1SM8YLBRN 0506844
Datenbank-Bezeichner
- CAS
24979-70-2、2628-17-3- PubChem CID
- 62453
- DTXSID
DTXSID7073301- ChEMBL
CHEMBL349881- ChEBI
CHEBI:1883- UNII
- OA7V1SM8YL
- EC Number
- 220-103-6
- Nikkaji
- J38.247G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 90,7
Experimentelle und physikochemische Eigenschaften
LogP2.36
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water; slightly soluble in fat
moderately soluble (in ethanol)
Boiling Point189 °C
Melting Point73.5 °C
Physical Description
Solid
White solid, vanilla extract odour
Physikochemische Eigenschaften
- Schmelzpunkt
- 360 °C · 360 °C (dec.)
- Dichte
- 1.16 g/mL · 1.16 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.6
- Flammpunkt
- 308 °C · 308°C
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- alcohols, ethers, ketones and esters: soluble
- Aggregatzustand
- Solid
- Farbe
- White to off-white
- InChI
- 1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
- InChIKey
- HXDOZKJGKXYMEW-UHFFFAOYSA-N
- SMILES
- Oc1ccc(C=C)cc1
- EPA chemische Informationen
- 4 · Phenol, 4-ethenyl-, homopolymer (24979-70-2)
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 1% (3 of 309) of reports.
Danger
H301 (56.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P333+P317, P342+P316, P361+P364, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 309 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Phenol, 4-ethenyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: p-vinylphenol (EC: 220-103-6)
Phenol, 4-ethenyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesAcute Tox. 3 (56.3%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Anwendungen
VerwendenPoly(p-hydroxystyrene) can substitute for Novolac resins in photoresists, adhesion promoter and improves heat resistance in hot melt adhesives and surface treatment in metal finishing. Derivatives used as antioxidants and flame retardants in plastics. Component of polymer blends to modify surface characteristics and improve impact resistance.
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