3-Hydroxyphenethylalkohol

3-Hydroxyphenethyl alcohol

HCID 83404CAS 13398-94-2

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Grundinformationen

Standard-SMILES: OCCc1cccc(O)c1
InChIKey: AMQIPHZFLIDOCB-UHFFFAOYSA-N
Summenformel: C8H10O2
Durchschnittliche Molmasse: 138,16 g/mol
Monoisotopische Masse: 138,06807956

Namen und Bezeichner

Bevorzugter Name: 3-Hydroxyphenethyl alcohol
IUPAC: 3-(2-hydroxyethyl)phenol
Lokaler Name: 3-Hydroxyphenethylalkohol
Englischer Name: 3-HYDROXYPHENETHYL ALCOHOL
Summenformel: C8H10O2
Molmasse: 138.16

Namen und Synonyme

3-Hydroxyphenethyl alcohol2D3F6MU88ZEINECS 236-485-2NSC-101846DTXSID40158438NSC 101846RefChem:502585DTXCID8080929236-485-213398-94-23-(2-Hydroxyethyl)phenol2-(3-Hydroxyphenyl)ethanol

Weitere Namen anzeigen

m-Tyrosol2-(3-Hydroxyphenyl)ethanol 99%

Benzeneethanol, 3-hydroxy-3-Hydroxybenzeneethanol3-HydroxyphenethylalcoholMFCD00002895Phenethyl alcohol, m-hydroxy-m-Hydroxyphenethyl alcoholm-Phenethyl alcoholUNII-2D3F6MU88Z

Datenbank-Bezeichner

CAS: 13398-94-2
PubChem CID: 83404
DTXSID: DTXSID40158438
ChEMBL: CHEMBL54498
UNII: 2D3F6MU88Z
EC Number: 236-485-2
Nikkaji: J119.464J

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

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

1384

2318；2415

Physikochemische Eigenschaften

Siedepunkt: 168 · 168-173 °C/4 mmHg (lit.)
Dichte: 1.082 g/mL · 1.082 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.564(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 9.89 · 9.89±0.10(Predicted)
BRN: 2433753 · 2433753
InChI: 1S/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H2
InChIKey: AMQIPHZFLIDOCB-UHFFFAOYSA-N
SMILES: OCCc1cccc(O)c1
LogP: 0.827 · 0.827 (est)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 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.