3-Methoxy-α-methylbenzylalkohol

(+-)-1-(3-Methoxyphenyl)ethanol

HCID 90902CAS 23308-82-9

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Grundinformationen

Standard-SMILES: COc1cccc(C(C)O)c1
InChIKey: ZUBPFBWAXNCEOG-UHFFFAOYSA-N
Summenformel: C9H12O2
Durchschnittliche Molmasse: 152,19 g/mol
Monoisotopische Masse: 152,08372962

Namen und Bezeichner

Bevorzugter Name: (+-)-1-(3-Methoxyphenyl)ethanol
IUPAC: 1-(3-methoxyphenyl)ethanol
Lokaler Name: 3-Methoxy-α-methylbenzylalkohol
Englischer Name: 1-(3-METHOXY-PHENYL)-ETHANOL
Summenformel: C9H12O2
Molmasse: 152.19

Namen und Synonyme

23308-82-9RefChem:1049019(+-)-1-(3-Methoxyphenyl)ethanol1-(3-Methoxyphenyl)ethanol1-(3-Methoxyphenyl)Ethan-1-Ol3-Methoxy-alpha-methylbenzyl alcoholMFCD000218669EQ14QXI2P1-(3-Methoxyphenyl)-ethanolBenzenemethanol, 3-methoxy-alpha-methyl-NSC-143364(+/-)-3-methoxy-alpha-methylbenzyl alcohol

Weitere Namen anzeigen

NSC 143364Rivastigmine EP Imp GRivastigMine IMpurity G(3-Methoxyphenyl)ethanolalpha-(3-Methoxyphenyl)ethanolalpha-(m-Methoxyphenyl)ethanol

1-(3-Methoxy-phenyl)-ethanolUNII-9EQ14QXI2PRivastigmine EP Impurity GEINECS 245-575-0NSC1433643-Methoxy-alpha-methylbenzyl alcohol, (+/-)-3-MethoxyphenylmethylcarbinolSCHEMBL43735

Datenbank-Bezeichner

CAS: 23308-82-9
PubChem CID: 90902
DTXSID: DTXSID901025820
ChEMBL: CHEMBL4587689
UNII: 9EQ14QXI2P
EC Number: 245-575-0
Nikkaji: J228.926A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 114

Physikochemische Eigenschaften

Siedepunkt: 234.66 °C · 234.66°C (rough estimate)
Dichte: 1.0781 · 1.0781
Brechungsindex: 1.5325 · 1.5325 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Sparingly)
Aggregatzustand: Oil
pka: 14.49 · 14.49±0.20(Predicted)
Farbe: Colourless

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (97.5%): 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 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；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

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Sicherheitsdaten

hs_code: 2909498090
risk_code: 36/37/38
safety_code: 26-36/37/39

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-(3-Methoxyphenyl)ethanol (Rivastigmine EP Impurity G) is a versatile reactant used in the preparation of 2,3-dihydroimidazo[1,2-a]pyridines as enantioselective acyl transfer catalysts in kinetic resolution of alcohols. Also used in chemoselective preparation of aryl aldehydes/ketones via in situ generated TEMPO-copper(II) diimine catalyzed oxidation of benzylic alcohols in aqueous media.