2-(Phenylmethoxy)ethanol

2-(benzyloxy)ethan-1-ol · 2-(BENZYLOXY)ETHANOL · Benzyloxyethanol · BENZYL GLYCOL · Benzylcelosolv · BENZYL CELLOSOLVE · Benzul cellusolve · Glycol benzyl ether

https://huagongshe.com/de/chemical/12141

Molekülstruktur von 2-(Phenylmethoxy)ethanol

Identifikatoren & physikalische Daten

CAS No.	622-08-2
Summenformel	C9H12O2
Durchschnittliche Molmasse	152,19 g/mol
Monoisotopische Masse	152,08372962 g/mol
SMILES	OCCOCc1ccccc1
InChIKey	CUZKCNWZBXLAJX-UHFFFAOYSA-N
PubChem CID	12141
EC No.	210-719-3
DTXSID	DTXSID3060744
Lokaler Name	2-(Phenylmethoxy)ethanol

Chemische & physikalische Eigenschaften

XLogP	0,9
Polarare Oberfläche (TPSA)	29,5
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	4
Schwere Atome	11
Formalladung	0
Komplexität	87
Geruch	FAINT, ROSE-LIKE ODOR
Dichte	1.0640 @ 20 °C/4 °C1.071 g/mL at 25 °C (lit.)
Color/Form	WATER WHITE LIQUID
Löslichkeit	SOL IN WATER, ALCOHOL, ETHERChloroform (Slightly), Methanol (Slightly)4.282g/L(23 ºC)
Flammpunkt	265 °F OC110 °C
Siedepunkt	256 °C @ 760 MM HG265 °C (lit.)
Schmelzpunkt	LESS THAN -75 °C<-75 °C
Dampfdichte	5.25 (AIR= 1)
Dampfdruck	0.02 [mmHg]7.3hPa at 25℃
Brechungsindex	INDEX OF REFRACTION: 1.5233 @ 20 °C/Dn20/D 1.521(lit.)
Physical Description	Liquid with a faint, rose-like odorSoluble in water[HSDB] Colorless liquid[MSDSonline]
Kovats Retention Index	1252.612752129
Lagerbedingungen	Sealed in dry,Room Temperature
pKa (Säurekonstante)	14.40±0.10(Predicted)
Aggregatzustand	Liquid
Farbe	Clear colorless
Wichte	1.07
Geruch	mild rose
BRN	2043566
Henry-Konstante	8.2×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Kosmetik-Inhaltsstoffe Funktionen	SOLVENT
InChIKey	CUZKCNWZBXLAJX-UHFFFAOYSA-N
LogP (Verteilungskoeffizient)	1.01 at 25℃
CAS Datenbank	622-08-2(CAS DataBase Reference)
NIST chemische Informationen	Ethanol, 2-(phenylmethoxy)-(622-08-2)
EPA chemische Informationen	Ethanol, 2-(phenylmethoxy)- (622-08-2)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 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.
Regulatorische Informationen	Chemical: Ethanol, 2-(phenylmethoxy)-Status: Active Update: 31-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31596Ethanol, 2-(phenylmethoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Weitere Sicherheitsinformationen	IMAP assessments - Ethanol, 2-(phenylmethoxy)-: Human health tier I assessment
Gefahrenübersicht	In oral lethal dose studies of rats, effects include general anesthesia and kidney changes[RTECS] Toxic by ingestion[Hawley] An irritant[MSDSonline] See GLYCOL ETHERS.
NFPA Hazard Classification	2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.

Anwendungen & Verwendung

Verwenden

2-Benzyloxyethanol is used in a base-free iridium-catalyzed direct alkylation of active methylene compounds with alcohols.