1-Phenylbut-3-en-1-ol

1-phenylbut-3-en-1-ol · 4-PHENYL-1-BUTEN-4-OL · α-Allylbenzyl alcohol · 1-Phenyl-3-buten-1-ol · α-Allylbenzenemethanol · 1-PHENYL-3-BUTENE-1-OL · Propafenone Impurity 47 · 1-Phenyl-3-buten-1-ol>4-Phenyl-1-buten-4-ol 97%

https://huagongshe.com/de/chemical/220119

Molekülstruktur von 1-Phenylbut-3-en-1-ol

Identifikatoren & physikalische Daten

CAS No.	936-58-3
Summenformel	C10H12O
Durchschnittliche Molmasse	148,2 g/mol
Monoisotopische Masse	148,088815 g/mol
SMILES	C=CCC(O)c1ccccc1
InChIKey	RGKVZBXSJFAZRE-UHFFFAOYSA-N
PubChem CID	220119
ChEBI	CHEBI:131375
EC No.	627-521-1
DTXSID	DTXSID50873266

Chemische & physikalische Eigenschaften

XLogP	2,2
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	3
Schwere Atome	11
Formalladung	0
Komplexität	114
Schmelzpunkt	102-104 °C
Siedepunkt	234 °C (lit.)
Dichte	0.992 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.53(lit.)
Flammpunkt	217 °F
Lagerbedingungen	2-8°C, stored under nitrogen
Aggregatzustand	Liquid
pKa (Säurekonstante)	14.22±0.20(Predicted)
Farbe	Clear colorless
InChI	1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-5,7-8,10-11H,1,6H2
InChIKey	RGKVZBXSJFAZRE-UHFFFAOYSA-N
SMILES	OC(CC=C)c1ccccc1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	2
Zollcode	29062900
Lagerklasse	10 - Combustible liquids
Gefahrenklasse	Acute Tox. 4 Oral

Anwendungen & Verwendung

Verwenden

4-Phenyl-1-buten-4-ol is a building block that can be used in the synthesis of (R)-2,3-Dihydro-2-phenyl-4H-1-benzopyran-4-one (H447850), which is an impurity of Propafenone (P757500), a sodium channel blocker and an antiarrhythmic (class IC) compound.