2',5'-Dimethyl-4'-hydroxyacetophenone
Grundinformationen
- CAS
26216-10-4- Standard-SMILES
CC(=O)c1cc(C)c(O)cc1C- InChIKey
MHQHNHNWOMRDKM-UHFFFAOYSA-N- Summenformel
- C10H12O2
- Durchschnittliche Molmasse
- 164,2 g/mol
- Monoisotopische Masse
- 164,08372962
Namen und Bezeichner
- Bevorzugter Name
- 2',5'-Dimethyl-4'-hydroxyacetophenone
- IUPAC
- 1-(4-hydroxy-2,5-dimethylphenyl)ethanone
- Englischer Name
- 1-(4-HYDROXY-2,5-DIMETHYL-PHENYL)-ETHANONE
- Summenformel
- C10H12O2
- Molmasse
- 164.2
Namen und Synonyme
2',5'-DIMETHYL-4'-HYDROXYACETOPHENONERefChem:439477661-093-726216-10-41-(4-hydroxy-2,5-dimethylphenyl)ethan-1-one1-(4-hydroxy-2,5-dimethylphenyl)ethanoneEthanone, 1-(4-hydroxy-2,5-dimethylphenyl)-NSC173995SCHEMBL3285509SCHEMBL29657461DTXSID60306075MHQHNHNWOMRDKM-UHFFFAOYSA-N
Weitere Namen anzeigen
1-(4-Hydroxy-2,5-dimethyl)-ethanone3(2H)-Thlophenone, 4-hydroxy-2,5-diMethyl1-(4-HYDROXY-2,5-DIMETHYL-PHENYL)-ETHANONE
AKOS006273326NSC-173995CS-02747971-(2,5-dimethyl-4-hydroxy-phenyl)-ethanoneEN300-1242065
Datenbank-Bezeichner
- CAS
26216-10-4- PubChem CID
- 299974
- DTXSID
DTXSID60306075- EC Number
- 661-093-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 177
Physikochemische Eigenschaften
- Schmelzpunkt
- 130 · 130-131 °C
- Siedepunkt
- 315 · 315.0±37.0 °C(Predicted)
- Dichte
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- pka
- 8.65 · 8.65±0.23(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- Alarmwort
- Achtung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315
Chemie und Industrie
Darstellung
synthetischePreparation by reaction of acetic acid on 2,5-dimethylphenol with boron trifluoride at 70° (95%).
Anbieter1 Anbieter
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Zugehörige Reaktionen
1
Notizen zur Verbindung
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