Naphthalin-2-ethanol

2-Naphthaleneethanol

HCID 73877CAS 1485-07-0

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Grundinformationen

Standard-SMILES: OCCc1ccc2ccccc2c1
InChIKey: VCZANYLMPFRUHG-UHFFFAOYSA-N
Summenformel: C12H12O
Durchschnittliche Molmasse: 172,22 g/mol
Monoisotopische Masse: 172,088815

Namen und Bezeichner

Bevorzugter Name: 2-Naphthaleneethanol
IUPAC: 2-naphthalen-2-ylethanol
Lokaler Name: Naphthalin-2-ethanol
Englischer Name: Naphthalen-2-ethanol
Summenformel: C12H12O
Molmasse: 172.22

Namen und Synonyme

2-Naphthaleneethanol1485-07-0Naphthalen-2-ethanolNSC-2104035GBR3X2UMDTXSID10163998RefChem:88479DTXCID9086489216-061-31-(2-Naphthyl)ethanol2-(Naphthalen-2-yl)ethanol2-(2-Naphthyl)ethanol

Weitere Namen anzeigen

phthalen-2-ethanolNAPHTHALENEETHANOL -2-naphtalene ethanolNAPHTHALENEETHANOL - 98%

2-(naphthalen-2-yl)ethan-1-ol2-naphthalen-2-ylethanol2-Naphthalene EthanolMFCD000041282-(2-hydroxyethyl)naphthaleneNaphthalene-2-ethanol2-(2-Naphthalenyl)ethanol2-Naphthylethanol

Datenbank-Bezeichner

CAS: 1485-07-0
PubChem CID: 73877
DTXSID: DTXSID10163998
UNII: 35GBR3X2UM
EC Number: 216-061-3
Nikkaji: J134A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 155

Physikochemische Eigenschaften

Schmelzpunkt: 66 · 66-68 °C(lit.)
Siedepunkt: 180 · 180-184 °C/15 mmHg (lit.)
Dichte: 0.99 · 0.9900 (rough estimate)
Brechungsindex: 1.534 · 1.5340 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder
pka: 14.84 · 14.84±0.10(Predicted)
InChI: 1S/C12H12O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9,13H,7-8H2
InChIKey: VCZANYLMPFRUHG-UHFFFAOYSA-N
SMILES: OCCc1ccc2ccccc2c1
CAS Datenbank: 1485 · 1485-07-0(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Naphthaleneethanol(1485-07-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-Naphthaleneethanol: 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.

Hazard Classes and CategoriesAcute Tox. 4 (50%)