1-Phenylcyclohexanol

HCID 15319CAS 1589-60-2

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Grundinformationen

Standard-SMILES: OC1(c2ccccc2)CCCCC1
InChIKey: DTTDXHDYTWQDCS-UHFFFAOYSA-N
Summenformel: C12H16O
Durchschnittliche Molmasse: 176,25 g/mol
Monoisotopische Masse: 176,12011513

Namen und Bezeichner

Bevorzugter Name: 1-Phenylcyclohexanol
IUPAC: 1-phenylcyclohexan-1-ol
Lokaler Name: 1-Phenylcyclohexanol
Englischer Name: 1-Phenylcyclohexanol
Summenformel: C12H16O
Molmasse: 176.25

Namen und Synonyme

1-Phenylcyclohexanol1589-60-2CYCLOHEXANOL, 1-PHENYL-1-Phenyl-1-cyclohexanol1-Phenylcyclohexanol-1BRN 1818360EINECS 216-456-0NSC 21999Benzene, cyclohex-1-yl-1-ol-AI3-13205DTXSID801665374-06-00-03908 (Beilstein Handbook Reference)

Weitere Namen anzeigen

1-phenyl-cyclohexano1-phenylcyclohexylol1-PhenyylcyclohexanolCyclohexanol,1-phenyl-

RefChem:76986DTXCID4089028216-456-0DTTDXHDYTWQDCS-UHFFFAOYSA-N1-phenylcyclohexan-1-olMFCD000213938WL3HZ5FB31-phenyl-cyclohexanol

Datenbank-Bezeichner

CAS: 1589-60-2
PubChem CID: 15319
DTXSID: DTXSID80166537
UNII: 8WL3HZ5FB3
EC Number: 216-456-0
Nikkaji: J80.251D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 153

Physikochemische Eigenschaften

Schmelzpunkt: 58 · 58-62 °C
Siedepunkt: 153 °C · 153 °C (20 mmHg)
Dichte: 1.035 · 1.0350
Brechungsindex: 1.5415 · 1.5415 (estimate)
Flammpunkt: 153 °C/20mm · 153°C/20mm
storage temp.: 2 · 2-8°C
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 14.49 · 14.49±0.20(Predicted)
Farbe: White to Light yellow
BRN: 1818360 · 1818360
InChI: InChI=1S/C12H16O/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKey: DTTDXHDYTWQDCS-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)(O)CCCCC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.