Grundinformationen
- Standard-SMILES
NCCCO- InChIKey
WUGQZFFCHPXWKQ-UHFFFAOYSA-N- Summenformel
- C3H9NO
- Durchschnittliche Molmasse
- 75,11 g/mol
- Monoisotopische Masse
- 75,06841391
Überblick
N-propanolamine is a colorless to pale yellow liquid with a fishy odor. Less dense than water. Melting point 12.4 °C (54 °F). Moderately toxic by ingestion.
Namen und Bezeichner
- Bevorzugter Name
- 3-Amino-1-propanol
- IUPAC
- 3-aminopropan-1-ol
- Lokaler Name
- 3-Amino-1-propanol
- Englischer Name
- 3-Aminopropanol
- Summenformel
- C3H9NO
- Molmasse
- 75.11
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
156-87-6- PubChem CID
- 9086
- DTXSID
DTXSID0059746- ChEMBL
CHEMBL115530- ChEBI
CHEBI:143408- UNII
- YMA7C44XGY
- EC Number
- 205-864-4
- Nikkaji
- J2.560G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,1
- Polarare Oberfläche (TPSA)
- 46,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 16,4
Experimentelle und physikochemische Eigenschaften
Density
0.982 at 68 °F (USCG, 1999) - Less dense than water; will float
0.9824 @ 26 °C/4 °C
0.985 @25 °C
Solubility
SOL IN WATER, ALCOHOL & ETHER
MISCIBLE WITH ACETONE & CHLOROFORM
Flash Point
175 °F (USCG, 1999)
175 °F
Boiling Point
369.5 °F at 760 mmHg (USCG, 1999)
187-188 °C @ 756 MM HG
187 °C @760 [mm Hg]
Melting Point
52 °F (USCG, 1999)
12.4 °C
-2 °C
Vapor Pressure
0.07 [mmHg]
0.4 [mm Hg] @25 °C
Physical Description
N-propanolamine is a colorless to pale yellow liquid with a fishy odor. Less dense than water. Melting point 12.4 °C (54 °F). Moderately toxic by ingestion.
CBI; Liquid
Colorless to pale yellow liquid with a fishy odor; mp = 12.4 deg C; [CAMEO] Colorless liquid with an odor of amines; mp = 11 deg C; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 10 · 10-12 °C (lit.)
- Siedepunkt
- 184 · 184-187 °C (lit.)
- Dichte
- 0.982 g/mL · 0.982 g/mL at 20 °C (lit.)
- Dampfdichte
- 2.59 · 2.59 (vs air)
- Dampfdruck
- 2.1 mm · 2.1 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.4598(lit.)
- Flammpunkt
- 175 °F · 175 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- water: soluble
- Aggregatzustand
- Liquid
- pka
- 1 · pK1: 9.96(+1) (25°C)
- Wichte
- 0.99 · 0.990 (20/4℃)
- Farbe
- Clear colorless to very slightly yellow
- PH
- 11.6 · 11.6 (10g/l, H2O, 20℃)
- Explosionsgrenze
- 2.5 · 2.5-10.6%(V)
- Wasserlöslichkeit
- miscible
- BRN
- 741855 · 741855
- Stabilität
- Hygroscopic
- InChI
- 1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2
- InChIKey
- WUGQZFFCHPXWKQ-UHFFFAOYSA-N
- SMILES
- NCCCO
- LogP
- -1.1 at · -1.1 at 20℃
- CAS Datenbank
- 156 · 156-87-6(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1-Propanol, 3-amino-(156-87-6)
- EPA chemische Informationen
- 3 · 3-Aminopropanol (156-87-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.4% (1 of 259) of reports.
Danger
H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 259 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Gefahrenhinweise
Regulatory Information
Chemical: 1-Propanol, 3-amino-
1-Propanol, 3-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanol, 3-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: 17-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13762
3-Amino-1-propanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A severe eye and moderate to severe skin irritant; [RTECS] Moderately toxic by ingestion; [CAMEO] A moderate irritant; [HSDB] A fairly severe skin irritant that may cause second-degree burns following a few minutes contact; Causes irritation or burns to eyes; Vapors cause moderate irritation; [CHRIS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS]
Reactivity Profile
N-PROPANOLAMINE neutralizes acids to form salts plus water in an exothermic reaction. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Reacts with strong reducing agents, such as hydrides to generate flammable gaseous hydrogen.
Hazard Classes and Categories
Acute Tox. 4 (92.7%)
Flammable liquids - Category 4
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
4.0 [mg/m3]
44 [mg/m3]
270 [mg/m3]
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29221980
- RTECS-Nr.
- UA5600000
- risk_code
- 22-34-20/21/22
- Toxizität
- LD50 orally in Rabbit: 1300 mg/kg LD50 dermal Rat > 2000 mg/kg
- hazard_code
- C,Xn
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Giftige Stoffe Daten
- 156-87-6(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
- Selbstentzündungstemperatur
- 770 °F
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as a chemical intermediate; [HSDB]
CHEM INT FOR DEXPANTHENOL, A GASTROINTESTINAL DRUG
Organic intermediate
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
2023: 100,000 - <250,000 lb
(1977) No Data
(1980) PROBABLY GREATER THAN 2.27X10+6 GRAMS
General Manufacturing Information
Oil and Gas Drilling, Extraction, and Support activities
1-Propanol, 3-amino-: ACTIVE
Anwendungen
VerwendenOrganic intermediate.
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