Grundinformationen
- Standard-SMILES
CC(C)(C)NCCO- InChIKey
IUXYVKZUDNLISR-UHFFFAOYSA-N- Summenformel
- C6H15NO
- Durchschnittliche Molmasse
- 117,19 g/mol
- Monoisotopische Masse
- 117,1153641
Namen und Bezeichner
- Bevorzugter Name
- 2-(tert-Butylamino)ethanol
- IUPAC
- 2-(tert-butylamino)ethanol
- Lokaler Name
- 2-(tert-Butylamino)ethanol
- Englischer Name
- 2-(tert-Butylamino)ethanol
- Summenformel
- C6H15NO
- Molmasse
- 117.19
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
4620-70-6- PubChem CID
- 78361
- DTXSID
DTXSID1044431- ChEMBL
CHEMBL3188116- UNII
- 72174ZJW10
- EC Number
- 225-034-5
- Nikkaji
- J150.081C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 32,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 56
Physikochemische Eigenschaften
- Schmelzpunkt
- 41 · 41-43 °C(lit.)
- Siedepunkt
- 90 · 90-92 °C25 mm Hg(lit.)
- Dichte
- 0.867 g/mL · 0.867 g/mL at 25 °C(lit.)
- Dampfdichte
- 4 · 4 (vs air)
- Brechungsindex
- 1.4444 · 1.4444 (estimate)
- Flammpunkt
- 156 °F · 156 °F
- storage temp.
- 30 °C · Store below +30°C.
- pka
- 14.81 · 14.81±0.10(Predicted)
- Aggregatzustand
- low melting solid
- InChI
- InChI=1S/C6H15NO/c1-6(2,3)7-4-5-8/h7-8H,4-5H2,1-3H3
- InChIKey
- IUXYVKZUDNLISR-UHFFFAOYSA-N
- SMILES
- C(O)CNC(C)(C)C
- CAS Datenbank
- 4620 · 4620-70-6(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Ethanol, 2-[(1,1-dimethylethyl)amino]- (4620-70-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H312 (90.5%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 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
Regulatory Information
Chemical: Ethanol, 2-[(1,1-dimethylethyl)amino]-
2-t-Butylamino-ethanol: Does not have an individual approval but may be used under an appropriate group standard
Regulatorische Informationen
Regulatory Information
Chemical: Ethanol, 2-[(1,1-dimethylethyl)amino]-
2-t-Butylamino-ethanol: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 9
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2923 8/PG 2
- hs_code
- 2922 19 00
- RTECS-Nr.
- KK7177500
- risk_code
- 21-34
- Toxizität
- LD50 orally in Rabbit: 1620 mg/kg LD50 dermal Rabbit 635 mg/kg
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 6.1A - Combustible, acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
Chemie und Industrie
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