2-Hydroxyphenethylalkohol

2-(2-Hydroxyethyl)phenol

HCID 82200CAS 7768-28-7

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Grundinformationen

Standard-SMILES: OCCc1ccccc1O
InChIKey: ABFCOJLLBHXNOU-UHFFFAOYSA-N
Summenformel: C8H10O2
Durchschnittliche Molmasse: 138,16 g/mol
Monoisotopische Masse: 138,06807956

Überblick

2-(2-hydroxyphenyl)ethanol is a phenol that is 2-phenylethanol in which the phenyl ring is substituted at position 2 by a hydroxy group. It has a role as a metabolite. It is functionally related to a 2-phenylethanol.

Namen und Bezeichner

Bevorzugter Name: 2-(2-Hydroxyethyl)phenol
IUPAC: 2-(2-hydroxyethyl)phenol
Lokaler Name: 2-Hydroxyphenethylalkohol
Englischer Name: 2-Hydroxyphenethyl alcohol
Summenformel: C8H10O2
Molmasse: 138.16

Namen und Synonyme

2-(2-Hydroxyethyl)phenol7768-28-72-(2-Hydroxyphenyl)ethanol2-Hydroxyphenylethanol2-Hydroxybenzeneethanolo-hydroxyphenylethanolC6AV79GN9FNSC-101845CHEBI:64803DTXSID90228312oHPERefChem:453965

Weitere Namen anzeigen

DTXCID10150803231-863-32-Hydroxyphenethyl alcoholBenzeneethanol, 2-hydroxy-MFCD00002890o-(2-Hydroxyethyl)phenol2-(o-Hydroxyphenyl)ethanolo-Hydroxyphenethyl alcohol

Datenbank-Bezeichner

CAS: 7768-28-7
PubChem CID: 82200
DTXSID: DTXSID90228312
ChEMBL: CHEMBL4075005
ChEBI: CHEBI:64803
UNII: C6AV79GN9F
EC Number: 231-863-3
Nikkaji: J28.495E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 93,3

Physikochemische Eigenschaften

Siedepunkt: 168 · 168-169 °C2 mm Hg(lit.)
Dichte: 1.159 g/mL · 1.159 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.559(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, DMSO (Slightly), Methanol (Slightly)
pka: 10.24 · 10.24±0.30(Predicted)
Aggregatzustand: Viscous Liquid
Farbe: Clear yellow to yellow-brownish
Stabilität: Light Sensitive
InChI: InChI=1S/C8H10O2/c9-6-5-7-3-1-2-4-8(7)10/h1-4,9-10H,5-6H2
InChIKey: ABFCOJLLBHXNOU-UHFFFAOYSA-N
SMILES: C1(CCO)=CC=CC=C1O
LogP: 1.31 · 1.310 (est)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 18-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22844

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

Sicherheitsdaten

wgk: 2
hs_code: 29072990
risk_code: 22-41-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1

Chemie und Industrie

Anwendungen

Verwenden2-Hydroxybenzeneethanol can be used to synthesize cyclic products and organoaluminim oligomers. Inelastic electron tunnelling spectra of 2-hydroxyphenethyl alcohol adsorbed on thin-film aluminium and magnesium oxide has been investigated.