4-Phenylcyclohexan-1-ol

4-Phenylcyclohexanol

HCID 79497CAS 5437-46-7

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Grundinformationen

Standard-SMILES: OC1CCC(c2ccccc2)CC1
InChIKey: YVVUSIMLVPJXMY-UHFFFAOYSA-N
Summenformel: C12H16O
Durchschnittliche Molmasse: 176,25 g/mol
Monoisotopische Masse: 176,12011513

Namen und Bezeichner

Bevorzugter Name: 4-Phenylcyclohexanol
IUPAC: 4-phenylcyclohexan-1-ol
Lokaler Name: 4-Phenylcyclohexan-1-ol
Englischer Name: 4-PHENYLCYCLOHEXANOL
Summenformel: C12H16O
Molmasse: 176.25

Namen und Synonyme

4-Phenylcyclohexanol5437-46-74-Phenylcyclohexan-1-olDTXSID90969470RefChem:1071408DTXCID90905454226-613-5trans-4-phenylcyclohexanol5769-13-1cis-4-Phenylcyclohexan-1-ol7335-12-8Cyclohexanol, 4-phenyl-

Weitere Namen anzeigen

RMA-266NSC 17139NSC 16118TIMTEC-BB SBB0085794-Phenylcyclohexanol,c&t4-Phenylcyclohexanol,98+%4-PHENYLCYCLOHEXANOL ---WHITE CRYSTALS, 99%---

cis-4-phenylcyclohexanoltrans-4-Phenylcyclohexan-1-ol4alpha-Phenylcyclohexan-1alpha-ol(1R,4R)-4-PHENYLCYCLOHEXAN-1-OL(1r,4r)-4-Phenylcyclohexanol(1s,4s)-4-phenylcyclohexan-1-olMFCD00013757MFCD09259965

Datenbank-Bezeichner

CAS: 5437-46-7、5769-13-1、7335-12-8
PubChem CID: 79497
DTXSID: DTXSID101373146
EC Number: 226-613-5、227-295-0、230-841-0
Nikkaji: J81.032K、J81.090H、J81.372I

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: 141

Physikochemische Eigenschaften

Schmelzpunkt: 116 · 116-118℃
Siedepunkt: 295.8 · 295.8±29.0℃ (760 Torr)
Dichte: 1.051 · 1.051±0.06 g/cm3 (20 ºC 760 Torr)
Flammpunkt: 113.3 · 113.3±16.5℃
storage temp.: Sealed in dry,Room Temperature
pka: 15.18 · 15.18±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 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.