2,6-Diisopropylbenzoquinone
Grundinformationen
- CAS
1988-11-0- Standard-SMILES
CC(C)C1=CC(=O)C=C(C(C)C)C1=O- InChIKey
DDXYWFGBQZICBD-UHFFFAOYSA-N- Summenformel
- C12H16O2
- Durchschnittliche Molmasse
- 192,25 g/mol
- Monoisotopische Masse
- 192,11502975
Namen und Bezeichner
- Bevorzugter Name
- 2,6-Diisopropylbenzoquinone
- IUPAC
- 2,6-di(propan-2-yl)cyclohexa-2,5-diene-1,4-dione
- Englischer Name
- 2,6-Diisopropyl-1,4-benzoquinone
- Summenformel
- C12H16O2
- Molmasse
- 192.25
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1988-11-0- PubChem CID
- 642540
- DTXSID
DTXSID70173634- UNII
- 9809N0LP0N
- EC Number
- 642-115-4
- Nikkaji
- J408.796H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 34,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 300
Physikochemische Eigenschaften
- Siedepunkt
- 130 · 130-131 °C(Press: 4-5 Torr)
- Dichte
- 1.032 · 1.032±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- Aggregatzustand
- liquid
- Major Application
- pharmaceutical small molecule
- InChI
- 1S/C12H16O2/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,1-4H3
- InChIKey
- DDXYWFGBQZICBD-UHFFFAOYSA-N
- SMILES
- O=C1C(=CC(=O)C=C1C(C)C)C(C)C
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H410 (50%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 6 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
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Anwendungen
VerwendenPropofol (P829750) impurity.
Anbieter80 Anbieter
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