Grundinformationen
- Standard-SMILES
CCC(N)CO- InChIKey
JCBPETKZIGVZRE-UHFFFAOYSA-N- Summenformel
- C4H11NO
- Durchschnittliche Molmasse
- 89,14 g/mol
- Monoisotopische Masse
- 89,08406397
Überblick
structure
Namen und Bezeichner
- Bevorzugter Name
- 2-Amino-1-butanol
- IUPAC
- 2-aminobutan-1-ol
- Lokaler Name
- (+-)-2-Aminobutan-1-ol
- Englischer Name
- DL-2-Amino-1-butanol
- Summenformel
- C4H11NO
- Molmasse
- 89.14
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
13054-87-0、96-20-8- PubChem CID
- 22129
- DTXSID
DTXSID60859935- ChEMBL
CHEMBL327032- UNII
- N008Q02GPS
- EC Number
- 202-488-2、235-940-2
- Nikkaji
- J35.181D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,4
- Polarare Oberfläche (TPSA)
- 46,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 30,7
Experimentelle und physikochemische Eigenschaften
Physical Description
Liquid
Liquid; [Merck Index] Colorless hygroscopic liquid with an amine-like odor; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -2 °C · -2 °C(lit.)
- Siedepunkt
- 179 · 179-183 °C(lit.)
- Dichte
- 0.944 g/mL · 0.944 g/mL at 20 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.452
- Flammpunkt
- 184 °F · 184 °F
- InChI
- InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3
- InChIKey
- JCBPETKZIGVZRE-UHFFFAOYSA-N
- SMILES
- C(N)(CO)CC
- CAS Datenbank
- 13054 · 13054-87-0(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1-Butanol, 2-amino-, (.+/-.)-(13054-87-0)
- EPA chemische Informationen
- 1 · 1-Butanol, 2-amino-(13054-87-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.8% (5 of 277) of reports.
Danger
H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 277 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Gefahrenhinweise
Regulatory Information
Chemical: 1-Butanol, 2-amino-
1-Butanol, 2-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 2-amino- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12299
2-Amino-1-butanol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Corr. 1C (100%)
Acute Tox. 4 (98.2%)
Acute toxicity - category 4
Sicherheit und Schutzausrüstung
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 2
- ridadr
- UN 2735 8/PG 3
- RTECS-Nr.
- EK9625000
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
Chemie und Industrie
Verwendung und Herstellung
Uses
Used to make surface-active agents, vulcanization accelerators, and pharmaceuticals, and as an emulsifying agent for cosmetic creams and lotions, mineral oil and paraffin wax emulsions, leather dressings, textile specialties, polishes, cleaning compounds, and so-called soluble oils; [Merck Index] Used in metal working fluids, rolling oils, and cleaning agents; [ECHA REACH Registrations]
Metal Machining [Category: Heat or Machine]
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1-Butanol, 2-amino-: ACTIVE
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