1-(4-Cyclohexylphenyl)ethan-1-on

1-(4-Cyclohexylphenyl)ethan-1-one

HCID 87715

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Grundinformationen

CAS: 18594-05-3
Standard-SMILES: CC(=O)c1ccc(C2CCCCC2)cc1
InChIKey: MSDQNIRGPBARGC-UHFFFAOYSA-N
Summenformel: C14H18O
Durchschnittliche Molmasse: 202,29 g/mol
Monoisotopische Masse: 202,13576519

Namen und Bezeichner

Bevorzugter Name: 1-(4-Cyclohexylphenyl)ethan-1-one
IUPAC: 1-(4-cyclohexylphenyl)ethanone
Lokaler Name: 1-(4-Cyclohexylphenyl)ethan-1-on
Englischer Name: 4'-CYCLOHEXYLACETOPHENONE
Summenformel: C14H18O
Molmasse: 202.29

Namen und Synonyme

18594-05-31-(4-Cyclohexylphenyl)ethanone1-(4-Cyclohexylphenyl)ethan-1-oneEthanone, 1-(4-cyclohexylphenyl)-EINECS 242-432-4MSDQNIRGPBARGC-UHFFFAOYSA-DTXSID70171817RefChem:425367DTXCID6094308242-432-4InChI=1/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H34'-Cyclohexylacetophenone

Weitere Namen anzeigen

CyclohexylacetophenoneLABOTEST-BB LT000001224-cyclohexylbenzenethyloneP-cyclo hexanylacetophenone4'-Cyclohexylacetophenone >4'-Cyclohexylacetophenone 98%4-CyclohexylacetophenonebyEMKA

4-CyclohexylacetophenoneMFCD000014531-acetyl-4-cyclohexylbenzeneSCHEMBL9671331-(4-cyclohexylphenyl)-ethanone1-(4-cyclohexyl-phenyl)-ethanone1-(4-Cyclohexylphenyl)ethanone #p-cyclohexylacetophenone

Datenbank-Bezeichner

CAS: 18594-05-3
PubChem CID: 87715
DTXSID: DTXSID70171817
EC Number: 242-432-4
Nikkaji: J132.621J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,3
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 207

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical structure

Physikochemische Eigenschaften

Schmelzpunkt: 68 · 68-70 °C(lit.)
Siedepunkt: 179 · 179-181 °C14 mm Hg(lit.)
Dichte: 0.9655 · 0.9655 (rough estimate)
Brechungsindex: 1.5397 · 1.5397 (estimate)
Flammpunkt: 179 · 179-181°C/14mm
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Light orange
BRN: 1962365 · 1962365
InChI: 1S/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChIKey: MSDQNIRGPBARGC-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(cc1)C2CCCCC2
LogP: 4.18 · 4.180 (est)
CAS Datenbank: 18594 · 18594-05-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.