5,5-Dimethylcyclohexan-1,3-dion
Dimedone
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
126-81-8- Standard-SMILES
CC1(C)CC(=O)CC(=O)C1- InChIKey
BADXJIPKFRBFOT-UHFFFAOYSA-N- Summenformel
- C8H12O2
- Durchschnittliche Molmasse
- 140,18 g/mol
- Monoisotopische Masse
- 140,08372962
Namen und Bezeichner
- Bevorzugter Name
- Dimedone
- IUPAC
- 5,5-dimethylcyclohexane-1,3-dione
- Lokaler Name
- 5,5-Dimethylcyclohexan-1,3-dion
- Englischer Name
- Dimedone
- Summenformel
- C8H12O2
- Molmasse
- 140.18
Namen und Synonyme
Dimedone126-81-85,5-DIMETHYL-1,3-CYCLOHEXANEDIONEMethoneCyclomethoneMedonDimedon1,3-Cyclohexanedione, 5,5-dimethyl-Methon1,1-Dimethyl-3,5-diketocyclohexane1,1-Dimethyl-3,5-cyclohexanedioneLU 274
Weitere Namen anzeigen
5,5-DIMETHYL-CYCLOHEXANE-1,3-DIONE5,5-Dimethyl-1,3-cyclohexadionelu274
B2B5DSX2FCNSC-14984DTXSID8021987RefChem:134141DTXCID101987204-804-45,5-Dimethylcyclohexane-1,3-dione5,5-Dimethyldihydroresorcinol
Datenbank-Bezeichner
- CAS
126-81-8- PubChem CID
- 31358
- DTXSID
DTXSID8021987- UNII
- B2B5DSX2FC
- EC Number
- 204-804-4
- Nikkaji
- J2.014A
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 34,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 162
Experimentelle und physikochemische Eigenschaften
Vapor Pressure0.06 [mmHg]
Physical DescriptionSolid; [Merck Index] White crystalline powder; [Alfa Aesar MSDS]
Kovats Retention Index
1101
1176
Physikochemische Eigenschaften
- Schmelzpunkt
- 146 · 146-148 °C (lit.)
- Siedepunkt
- 216.69 °C · 216.69°C (rough estimate)
- Dichte
- 1.0373 · 1.0373 (rough estimate)
- Brechungsindex
- 1.4787 · 1.4787 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- 4.01 g/l · 4.01g/l
- pka
- 4.8 · 4.8(at 25℃)
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to yellow
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
This chemical does not meet GHS hazard criteria for 70% (7 of 10) of all reports.
Warning
H315 (30%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (30%): 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+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 10 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 7 of 10 reports by companies.；There are 3 notifications provided by 3 of 10 reports by companies with hazard statement code(s).；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 Information
Chemical: 1,3-Cyclohexanedione, 5,5-dimethyl-
Status: Active Update: 21-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5719
1,3-Cyclohexanedione, 5,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See o-Methylcyclohexanone.
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to identify aldehydes; [Merck Index]
General Manufacturing Information1,3-Cyclohexanedione, 5,5-dimethyl-: ACTIVE
Anwendungen
BeschreibungDimedon bildet farblose bis blassgelbe, wasserunlösliche Kristalle. Die Verbindung wird in der analytischen Chemie zur Identifizierung und Trennung Aldehyden, meist von Formaldehyd, verwendet.
VerwendenReagent used in synthesis of fused 3-methylfuransDimedone is used in organic chemistry to identify the presence of aldehyde group. It is also used as a catalyst in the formation of transition-metal complexes. Further, it is also employed in colorimetry, crystallography, luminescence and spectrophotometric analysis. In addition to this, it is used in the synthesis of naturally occurring fused 3-methylfurans.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
187
Notizen zur Verbindung
Wird geladen…