Grundinformationen
- Standard-SMILES
Oc1ccccc1C1CCCCC1- InChIKey
MVRPPTGLVPEMPI-UHFFFAOYSA-N- Summenformel
- C12H16O
- Durchschnittliche Molmasse
- 176,25 g/mol
- Monoisotopische Masse
- 176,12011513
Namen und Bezeichner
- Bevorzugter Name
- o-Cyclohexylphenol
- IUPAC
- 2-cyclohexylphenol
- Lokaler Name
- 2-Cyclohexylphenol
- Englischer Name
- 2-Cyclohexylphenol
- Summenformel
- C12H16O
- Molmasse
- 176.25
Namen und Synonyme
2-CYCLOHEXYLPHENOL119-42-6o-CyclohexylphenolPhenol, 2-cyclohexyl-Phenol, o-cyclohexyl-KIR1PB30LIPhenol, cyclohexyl-NSC 6093NSC-6093EINECS 204-322-4AI3-09047DTXSID2059487
Weitere Namen anzeigen
2-cyclohexyl-pheno2-Cyclohexylphenol >2-HYDROXYPHENYLCYCLOHEXANE
EINECS 247-813-9oCyclohexylphenolPhenol, ocyclohexylPhenol, 2cyclohexylRefChem:855235Phenol, ocyclohexyl (8CI)Phenol, o-cyclohexyl-(8CI)DTXCID0033465
Datenbank-Bezeichner
- CAS
119-42-6、26570-85-4- PubChem CID
- 8396
- DTXSID
DTXSID2059487- ChEMBL
CHEMBL1812771- UNII
- KIR1PB30LI
- EC Number
- 204-322-4、247-813-9
- Nikkaji
- J95.548E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 149
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Phenols
SpringerMaterials PropertiesDielectric constant
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 56 °C · 56°C
- Siedepunkt
- 284 °C · 284 °C
- Dichte
- 0.9452 · 0.9452 (rough estimate)
- Brechungsindex
- 1.5415 · 1.5415 (estimate)
- Flammpunkt
- 134 ℃ · 134℃
- Aggregatzustand
- powder to crystal
- pka
- 10.41 · 10.41±0.30(Predicted)
- Farbe
- White to Light yellow to Light orange
- Wasserlöslichkeit
- 83.33 mg/L · 83.33mg/L(25 ºC)
- InChI
- InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2
- InChIKey
- MVRPPTGLVPEMPI-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=CC=C1C1CCCCC1
- CAS Datenbank
- 119 · 119-42-6(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Phenol, 2-cyclohexyl- (119-42-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 117 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Phenol, 2-cyclohexyl-
Status: Active Update: 19-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21008
Phenol, 2-cyclohexyl-: 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.
Hazards SummaryAn irritant that may cause serious eye injury; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (66.7%)
Sicherheitsdaten
- tsca
- TSCA listed
- ridadr
- 3077
- hs_code
- 29071990
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Phenol, 2-cyclohexyl-: ACTIVE
Phenol, cyclohexyl-: INACTIVE
Anwendungen
Verwenden2-Cyclohexylphenol is a reagent used in the synthesis of thyroid hormone receptor β-agonists.
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