4-Methoxy-α-methylbenzylalkohol

1-(4-Methoxyphenyl)ethanol

HCID 101148CAS 3319-15-1

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Grundinformationen

Standard-SMILES: COc1ccc(C(C)O)cc1
InChIKey: IUUULXXWNYKJSL-UHFFFAOYSA-N
Summenformel: C9H12O2
Durchschnittliche Molmasse: 152,19 g/mol
Monoisotopische Masse: 152,08372962

Überblick

4-methoxy-alpha-methylbenzyl alcohol is a member of the class of benzyl alcohols that is alpha-methylbenzyl alcohol substituted by a methoxy group at position 4. It is a member of benzyl alcohols and a monomethoxybenzene.

Namen und Bezeichner

Bevorzugter Name: 1-(4-Methoxyphenyl)ethanol
IUPAC: 1-(4-methoxyphenyl)ethanol
Lokaler Name: 4-Methoxy-α-methylbenzylalkohol
Englischer Name: 1-(4-Methoxyphenyl)ethanol
Summenformel: C9H12O2
Molmasse: 152.19

Namen und Synonyme

1-(4-Methoxyphenyl)ethanol3319-15-1DTXSID401311686RefChem:425793DTXCID408928001-(4-methoxyphenyl)ethan-1-ol4-Methoxy-alpha-methylbenzyl alcohol4-Methoxyphenyl methyl carbinol1-(p-Methoxyphenyl)ethanolMFCD000168574-Methoxy-.alpha.-methylbenzyl alcohol1-(4-methoxyphenyl)-ethanol

Weitere Namen anzeigen

methoxy-methylbenzylalcoholα-Methyl-4-methoxybenzyl alcoholAURORA KA-69924-METHOXY PHENYL ETHANOLP-(A-HYDROXYETHYL)ANISOLE4-(1-Hydroxyethyl)anisole1-(P-METHOXYPHENYL) ETHANOL1-(4'-METHOXYPHENYL) ETHANOL

(+/-)-1-(4-methoxyphenyl)ethanol018M85FD11NSC-4067121-(4-Methoxyphenyl)ethanol, (+/-)-Benzenemethanol, 4-methoxy-.alpha.-methyl-4-Methoxy-|A-methylbenzyl alcoholalpha-methyl-4-methoxybenzyl alcoholEINECS 222-019-5

Datenbank-Bezeichner

CAS: 3319-15-1
PubChem CID: 101148
DTXSID: DTXSID401311686
ChEBI: CHEBI:86566
UNII: 018M85FD11
EC Number: 222-019-5
Nikkaji: J205.401I

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: 106

Physikochemische Eigenschaften

Siedepunkt: 95 °C/1 · 95 °C/1 mmHg (lit.)
Dichte: 1.079 g/mL · 1.079 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.533(lit.)
Flammpunkt: 165 °F · 165 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Ethyl Acetate (Slightly), Methanol (Sparingly)
Aggregatzustand: Oil
pka: 14.49 · 14.49±0.20(Predicted)
Farbe: Colourless
Wasserlöslichkeit: Not miscible in water.
BRN: 2043521 · 2043521
InChI: 1S/C9H12O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3
InChIKey: IUUULXXWNYKJSL-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)C(C)O
CAS Datenbank: 3319 · 3319-15-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H227 (33.3%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 4 (33.3%)

Sicherheitsdaten

wgk: 3
hs_code: 2909498090
safety_code: 24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

Verwenden1-(4-Methoxyphenyl)ethanol is used to study the steady-state and nanosecond, laser-flash photolysis. It is used to produce 4-(1-chloro-ethyl)-anisole.