Grundinformationen
- Standard-SMILES
C=Cc1ccc(O)cc1- InChIKey
FUGYGGDSWSUORM-UHFFFAOYSA-N- Summenformel
- C8H8O
- Durchschnittliche Molmasse
- 120,15 g/mol
- Monoisotopische Masse
- 120,05751487
Namen und Bezeichner
- Bevorzugter Name
- 4-Vinylphenol
- IUPAC
- 4-ethenylphenol
- Englischer Name
- Poly(p-hydroxystyrene)
- Summenformel
- C8H8O
- Molmasse
- 120.15
Namen und Synonyme
Weitere Namen anzeigen
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
Experimentelle und physikochemische Eigenschaften
Solubility
soluble in water; slightly soluble in fat
moderately soluble (in ethanol)
Physical Description
Solid
White solid, vanilla extract odour
Kovats Retention Index
1180;1188;1199;1200;1173;1194;1190;1240;1190;1190;1190;1186.6;1190
1224;1237;1229;1229;1247;1219;1199;1212;1211;1224;1216;1223;1229;1219;1215.6;1221;208.7
2353;2379;2379;2372;2411;2417;2379;2377;2377;2397;2378;2379;2377;2398;2358;2384;2369;2340;2350;2352
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
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];H302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral];H310 (14.2%): Fatal in contact with skin [Danger Acute toxicity, dermal];H311 (36.6%): Toxic in contact with skin [Danger Acute toxicity, dermal];H314 (50.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (21%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (50.8%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (46%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H330 (36.6%): Fatal if inhaled [Danger Acute toxicity, inhalation];H334 (36.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (19.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H341 (23.3%): Suspected of causing genetic defects [Warning Germ cell mutagenicity];H361 (23%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity];H372 (23.3%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
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.;Reported as not meeting GHS hazard criteria per 3 of 309 reports by companies.;There are 12 notifications provided by 306 of 309 reports by companies with hazard statement code(s).;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: Phenol, 4-ethenyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 28-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26687
Phenol, 4-ethenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 3 (56.3%);Acute Tox. 4 (37.5%);Acute Tox. 1 (14.2%);Acute Tox. 3 (36.6%);Skin Corr. 1B (50.8%);Skin Irrit. 2 (21%);Skin Sens. 1 (50.8%);Eye Dam. 1 (46%);Acute Tox. 2 (36.6%);Resp. Sens. 1 (36.6%);STOT SE 3 (19.7%);Muta. 2 (23.3%);Repr. 2 (23%);STOT RE 1 (23.3%)
Regulatorische Informationen
Regulatory Information
Chemical: Phenol, 4-ethenyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 28-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26687
Phenol, 4-ethenyl-: Does not have an individual approval but may be used under an appropriate group standard
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
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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