Grundinformationen
- Standard-SMILES
CCCC1CCC(C2CCC(=O)CC2)CC1- InChIKey
AKCZQKBKWXBJOF-UHFFFAOYSA-N- Summenformel
- C15H26O
- Durchschnittliche Molmasse
- 222,37 g/mol
- Monoisotopische Masse
- 222,19836545
Überblick
See also: 4'-trans-Propyl-(1,1'-bicyclohexyl)-4-on (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- [1,1'-Bicyclohexyl]-4-one,4'-propyl-,
- IUPAC
- 4-(4-propylcyclohexyl)cyclohexan-1-one
- Englischer Name
- 4-Propyldicyclohexylanone
- Summenformel
- C15H26O
- Molmasse
- 222.37
Namen und Synonyme
(1,1'-Bicyclohexyl)-4-one,4'-propyl-,EC 617-391-4[1,1'-Bicyclohexyl]-4-one,4'-propyl-,RefChem:391019617-391-482832-73-34-(trans-4-Propylcyclohexyl)cyclohexanone4-(4-propylcyclohexyl)cyclohexanone87625-09-04-(4-propylcyclohexyl)cyclohexan-1-one4-PropyldicyclohexylanoneTRANS-4'-PROPYLBI(CYCLOHEXAN)-4-ONE
Weitere Namen anzeigen
3HHK4-Propylbicyclohexyl-4-one4'-propylbi(cyclohexan)-4-onePropylcyclohexylcyclohexanoneTrans-4-propyldicyclohexylanone4-Propyldicyclohexylanone(3PCK)4-chloro-4'-propylbi(cyclohexane)4-Propylbi(cyclohexylidene)ketone
MFCD040387974'-Propyl-[1,1'-bi(cyclohexan)]-4-onetrans-4-(4-n-propylcyclohexyl)cyclohexanonetrans-4'-Propyl[1,1'-bicyclohexyl]-4-one(1's,4'r)-4'-propyl-[1,1'-bi(cyclohexan)]-4-one4-(trans-4'-n-Propylcyclohexyl)-cyclohexanone4-(trans-4'-propylcyclohexyl)cyclohexanone4'-propylbicyclohexyl-4-one
Datenbank-Bezeichner
- CAS
82832-73-3- PubChem CID
- 4354185
- DTXSID
DTXSID801002940- EC Number
- 617-391-4
- Nikkaji
- J1.629.615E、J1.649.146B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,7
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 216
Physikochemische Eigenschaften
- Schmelzpunkt
- 27 °C · 27 °C
- Siedepunkt
- 313.7 · 313.7±10.0 °C(Predicted)
- Dichte
- 0.937 · 0.937±0.06 g/cm3(Predicted)
- Dampfdruck
- 0.026 Pa · 0.026Pa at 25℃
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- Solid
- Farbe
- White to Almost white
- InChI
- InChI=1S/C15H26O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h12-14H,2-11H2,1H3/t12-,13-
- InChIKey
- AKCZQKBKWXBJOF-JOCQHMNTSA-N
- SMILES
- C1([C@@H]2CC[C@@H](CCC)CC2)CCC(=O)CC1
- LogP
- 6 at · 6 at 25℃ and pH6
- CAS Datenbank
- 82832 · 82832-73-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 17-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30193
Hazard Classes and CategoriesAquatic Chronic 1 (100%)
Sicherheitsdaten
- hs_code
- 2914.29.5000
Chemie und Industrie
Anwendungen
VerwendenIntermediates of Liquid Crystals
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