Grundinformationen
- Standard-SMILES
CCOc1ccc(C(C)(C)CO)cc1- InChIKey
OZEZBKUHAGFQME-UHFFFAOYSA-N- Summenformel
- C12H18O2
- Durchschnittliche Molmasse
- 194,27 g/mol
- Monoisotopische Masse
- 194,13067982
Überblick
2-(4-ethoxyphenyl)-2-methylpropan-1-ol is a member of propan-1-ols and an aromatic ether. It is functionally related to a 4-tert-butylphenol.
Namen und Bezeichner
- Bevorzugter Name
- 2-(4-Ethoxyphenyl)-2-methylpropanol
- IUPAC
- 2-(4-ethoxyphenyl)-2-methylpropan-1-ol
- Englischer Name
- 2-(4-Ethoxyphenyl)-2-methylpropanol
- Summenformel
- C12H18O2
- Molmasse
- 194.27
Namen und Synonyme
2-(4-Ethoxyphenyl)-2-methylpropanol4-ethoxy-beta,beta-dimethylbenzeneethanolRefChem:457508680-130-883493-63-42-(4-ethoxyphenyl)-2-methylpropan-1-olMFCD077872792-(4-ethoxyphenyl)-2-methyl-1-propanolBenzeneethanol, 4-ethoxy-beta,beta-dimethyl-PENAp-ethoxyneophyl alcohol4-ethoxyneophyl alcohol
Weitere Namen anzeigen
2-(4-ethyoxy phenyl)-2-methyl propanolBenzeneethanol, 4-ethoxy-β,β-dimethyl-2-(4-Ethoxyphenyl)-2-methylpropanol>2-(4-Ethoxyphenyl)-2-methyl-1-propanol2-(4-ETHOXY-PHENYL)-2-METHYL-PROPAN-1-OL
2-(4-ethoxyphenyl)-2-methyl-propan-1-olSCHEMBL7749333CHEBI:39350DTXSID60232401AKOS0063464952,2-dimethyl-2-(4-ethoxyphenyl)ethanolAC-15259AS-63625
Datenbank-Bezeichner
- CAS
83493-63-4- PubChem CID
- 158525
- DTXSID
DTXSID60232401- ChEBI
CHEBI:39350- EC Number
- 680-130-8
- Nikkaji
- J2.650.628J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 158
Experimentelle und physikochemische Eigenschaften
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physikochemische Eigenschaften
- Schmelzpunkt
- 48 °C · 48 °C
- Siedepunkt
- 294.6 · 294.6±23.0 °C(Predicted)
- Dichte
- 1 · 1.000±0.06 g/cm3(Predicted)
- pka
- 15.01 · 15.01±0.10(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow
- CAS Datenbank
- 83493 · 83493-63-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- hs_code
- 2909498090
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
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