2',5'-Dihydroxyacetophenon
2-Acetylhydroquinone
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Grundinformationen
- CAS
490-78-8- Standard-SMILES
CC(=O)c1cc(O)ccc1O- InChIKey
WLDWSGZHNBANIO-UHFFFAOYSA-N- Summenformel
- C8H8O3
- Durchschnittliche Molmasse
- 152,15 g/mol
- Monoisotopische Masse
- 152,04734411
Überblick
2',5'-Dihydroxyacetophenone is an aromatic ketone.
Namen und Bezeichner
- Bevorzugter Name
- 2-Acetylhydroquinone
- IUPAC
- 1-(2,5-dihydroxyphenyl)ethanone
- Lokaler Name
- 2',5'-Dihydroxyacetophenon
- Englischer Name
- 2',5'-Dihydroxyacetophenone
- Summenformel
- C8H8O3
- Molmasse
- 152.15
Namen und Synonyme
490-78-81-(2,5-Dihydroxyphenyl)ethanone2',5'-DIHYDROXYACETOPHENONE2-AcetylhydroquinoneQuinacetophenoneAcetylhydroquinone1-(2,5-dihydroxyphenyl)ethan-1-oneAcetylquinolEthanone, 1-(2,5-dihydroxyphenyl)-Acetophenone, 2',5'-dihydroxy-1-Acetyl-2,5-dihydroxybenzene2,5-Dihydroxy-1-acetylbenzene
Weitere Namen anzeigen
2,5-DIHYDROXYACETOPHENONE2,5-DHAP2-hydroxy-1-(3-hydroxyphenyl)ethan-1-one2,5-Dihydroxyphenyl methyl ketone, 2-Acetyl-1,4-dihydroxybenzene, 2-Acetylhydroquinone, Acetylquinol, Quinacetophenone
NSC 3759EINECS 207-716-4K1H7QH11ZHBRN 0637903AI3-18221NSC-3759DTXSID90600772-ACETYL-1,4-BENZENEDIOL
Datenbank-Bezeichner
- CAS
490-78-8- PubChem CID
- 10279
- DTXSID
DTXSID9060077- ChEMBL
CHEMBL2348532- ChEBI
CHEBI:173647- UNII
- K1H7QH11ZH
- EC Number
- 207-716-4
- Nikkaji
- J6.045C
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 155
Experimentelle und physikochemische Eigenschaften
Melting Point202 - 203 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 204 · 204-206 °C(lit.)
- Siedepunkt
- 234.6 °C · 234.6°C (rough estimate)
- Dichte
- 1.2143 · 1.2143 (rough estimate)
- Brechungsindex
- 1.4447 · 1.4447 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 50 mg/mL, · dioxane: 50 mg/mL, clear
- pka
- 9.86 · 9.86±0.18(Predicted)
- Aggregatzustand
- Crystals or Crystalline Powder
- Farbe
- Yellow to yellow-green
- Wasserlöslichkeit
- insoluble
- BRN
- 637903 · 637903
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationEthanone, 1-(2,5-dihydroxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29145000
- RTECS-Nr.
- AM7700000
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
UsesSynthetic Polymer MALDI Matrix Compounds
General Manufacturing InformationEthanone, 1-(2,5-dihydroxyphenyl)-: ACTIVE
Anwendungen
Beschreibung2',5'-Dihydroxyacetophenone is a natural phenolic compound that is found in many plants. It has been shown to have anti-inflammatory properties through its ability to inhibit the production of pro-inflammatory cytokines, such as tumor necrosis factor alpha and interleukin 1 beta.
Verwenden2',5'-Dihydroxyacetophenone is an intermediate used in various synthetic preparations of pharmaceutical goods, 1-(2,5-Dihydroxyphenyl)ethanone was untilized in the synthesis of new flavonoid fatty acid esters with anti-adipogenic and glucose consumption enhancing activities.
Darstellung
synthetischePreparation by Fries rearrangement of hydroquinone diacetate,with aluminium chloride(91%) (76%)(63–77%) (55–60%)with zinc chloride in refluxing acetic acid (quantitative yield)with boron trifluoride etherate in benzene at reflux (65%).
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