Grundinformationen
- Standard-SMILES
CC(C=O)=Cc1ccc(C(C)(C)C)cc1- InChIKey
ZZSXZEFWZXSQPX-UHFFFAOYSA-N- Summenformel
- C14H18O
- Durchschnittliche Molmasse
- 202,29 g/mol
- Monoisotopische Masse
- 202,13576519
Namen und Bezeichner
- Bevorzugter Name
- 2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-2-methyl-
- IUPAC
- 3-(4-tert-butylphenyl)-2-methylprop-2-enal
Namen und Synonyme
2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-2-methyl-13586-68-0DTXSID7065546EINECS 237-014-32-Propenal, 3-(4-(1,1-dimethylethyl)phenyl)-2-methyl-Cinnamaldehyde, p-tert-butyl-alpha-methyl-RefChem:266184DTXCID70343353-(4-tert-butylphenyl)-2-methylprop-2-enalSCHEMBL119154AKOS017547844alpha-methyl-4-tert-butylcinnamaldehyde
Weitere Namen anzeigen
3-(p-tert.butyl-phenyl)-2-methyl-acroleinDB-0631021-(p-tert.butylphenyl)-2-formyl-1-propene3-(4-tert.-butylphenyl)-2-methylprop-2-enal3-p-tertiary butylphenyl-2-methyl-prop-2-enal
Datenbank-Bezeichner
- CAS
13586-68-0- PubChem CID
- 114659
- DTXSID
DTXSID7065546- EC Number
- 237-014-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 237
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H361 (98.1%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H400 (98.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (98.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 106 reports by companies from 3 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.
Gefahrenhinweise
Regulatory InformationChemical: 2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-2-methyl-
Hazard Classes and CategoriesRepr. 2 (98.1%)；Aquatic Acute 1 (98.1%)；Aquatic Chronic 1 (98.1%)
Regulatorische Informationen
Regulatory InformationChemical: 2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-2-methyl-
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-2-methyl-: ACTIVE
Zugehörige Reaktionen
9
Verknüpfte Notizen
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