2-(Tert-butoxy)ethan-1-ol
Grundinformationen
- CAS
7580-85-0- Standard-SMILES
CC(C)(C)OCCO- InChIKey
BDLXTDLGTWNUFM-UHFFFAOYSA-N- Summenformel
- C6H14O2
- Durchschnittliche Molmasse
- 118,17 g/mol
- Monoisotopische Masse
- 118,09937969
Namen und Bezeichner
- Bevorzugter Name
- 2-(Tert-butoxy)ethan-1-ol
- IUPAC
- 2-[(2-methylpropan-2-yl)oxy]ethanol
- Englischer Name
- ETHYLENE GLYCOL MONO-TERT-BUTYL ETHER
- Summenformel
- C6H14O2
- Molmasse
- 118.17
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
7580-85-0- PubChem CID
- 24232
- DTXSID
DTXSID4073384- EC Number
- 456-140-1、616-267-7
- Nikkaji
- J49.824F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 54
Physikochemische Eigenschaften
- Siedepunkt
- 152 °C · 152 °C
- Dichte
- 0 · 0,9 g/cm3
- Brechungsindex
- 1.416 to · 1.4160 to 1.4190
- Flammpunkt
- 55 °C · 55°C
- storage temp.
- Sealed in dry,Room Temperature
- Wasserlöslichkeit
- Completely miscible in water
- Aggregatzustand
- clear liquid
- pka
- 14.44 · 14.44±0.10(Predicted)
- Farbe
- Colorless to Almost colorless
- InChI
- InChI=1S/C6H14O2/c1-6(2,3)8-5-4-7/h7H,4-5H2,1-3H3
- InChIKey
- BDLXTDLGTWNUFM-UHFFFAOYSA-N
- SMILES
- C(O)COC(C)(C)C
- CAS Datenbank
- 7580 · 7580-85-0
- EPA chemische Informationen
- 2 · Ethanol, 2-(1,1-dimethylethoxy)- (7580-85-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (71.4%): Flammable liquid and vapor [Warning Flammable liquids];H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (42.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (42.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (28.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 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
Hazard Classes and Categories
Flam. Liq. 3 (71.4%);Acute Tox. 4 (28.6%);Skin Irrit. 2 (42.9%);Eye Irrit. 2A (42.9%);STOT SE 3 (42.9%);STOT RE 2 (28.6%)
Flam. Liq. 3 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Dam. 1 (100%);Acute Tox. 3 (100%);STOT SE 3 (100%);STOT RE 1 (100%)
Flammable liquids - Category 3;Specific target organ toxicity - Single exposure - Category 3 (Narcotic effects);Specific target organ toxicity - Repeated exposure - Category 1 (blood system)
Regulatorische Informationen
Sicherheitsdaten
- ridadr
- 3271
- hs_code
- 2909498090
- RTECS-Nr.
- KJ8750000
- risk_code
- 10-36/37/38
- safety_code
- 26-36/37/39
- hazard_class
- 3
- packing_group
- III
Chemie und Industrie
Anwendungen
Verwenden2-(1,1-Dimethylethoxy)ethanol is used in the preparation of potent and selective NPY5 receptor antagonists. Also used in the synthesis of PDE5 inhibitors, used to block the degradative action of phosphodiesterase 5.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter100 Anbieter
Zugehörige Reaktionen
Notizen zur Verbindung
Wird geladen…