Grundinformationen
- Standard-SMILES
NCCNCCO- InChIKey
LHIJANUOQQMGNT-UHFFFAOYSA-N- Summenformel
- C4H12N2O
- Durchschnittliche Molmasse
- 104,15 g/mol
- Monoisotopische Masse
- 104,094963
Überblick
Aminoethylethanolamine appears as a clear colorless liquid with an ammonia-like odor. Corrosive to tissue. Combustible, but may be difficult to ignite. Less dense than water. Vapors heavier than air. Toxic oxides of nitrogen produced during combustion. Used to make other chemicals.
Namen und Bezeichner
- Bevorzugter Name
- N-(2-Hydroxyethyl)ethylenediamine
- IUPAC
- 2-(2-aminoethylamino)ethanol
- Lokaler Name
- 2-(2-Aminoethylamino)ethanol
- Englischer Name
- 2-(2-Aminoethylamino)ethanol
- Summenformel
- C4H12N2O
- Molmasse
- 104.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
111-41-1- PubChem CID
- 8112
- DTXSID
DTXSID7025423- ChEMBL
CHEMBL3186403- UNII
- RC78W6NPXT
- EC Number
- 203-867-5
- Nikkaji
- J1.188F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,7
- Polarare Oberfläche (TPSA)
- 58,3 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 32,9
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Nitrogen Compounds -> Ethanolamines
Corrosives
Density
1.028 at 77 °F (USCG, 1999) - Denser than water; will sink
1.0254 at 25 °C
1.028
1.03 @25 °C
Solubility
greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
VERY SOL IN WATER, ALCOHOL, ACETATE
Flash Point
216 °F (NTP, 1992)
132 °C
132 °C (CLOSED CUP)
216 °F
Boiling Point
460 to 464 °F at 760 mmHg (NTP, 1992)
238-40 °C
BP: 243.7 °C
460-464 °F
243 °C @760 [mm Hg]
Vapor Density
3.59 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
3.59
3.59
Vapor Pressure
less than 0.01 mmHg at 68 °F (NTP, 1992)
0.000819 [mmHg]
8.19X10-4 mm Hg at 25 °C
<0.01 mmHg
0.01 [mm Hg] @20 °C
Food Contact Substances
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physikochemische Eigenschaften
- Schmelzpunkt
- -28 °C · -28 °C
- Siedepunkt
- 238 · 238-240 °C/752 mmHg (lit.)
- Dichte
- 1.03 g/mL · 1.03 g/mL at 25 °C (lit.)
- Dampfdichte
- 3.6 · 3.6 (vs air)
- Dampfdruck
- 0.01 hPa · <0.01 hPa (20 °C)
- Brechungsindex
- 20 · n20/D 1.485(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- soluble
- Aggregatzustand
- Liquid
- pka
- 1 · pK1:7.21(+2);pK2:10.12(+1) (25°C)
- Farbe
- Clear Colorless
- Geruch (Odor)
- mild ammoniacal odor
- PH
- 11.8 · 11.8 (111g/l, H2O, 20℃)
- Explosionsgrenze
- 3.3 · 3.3-10.1%(V)
- Wasserlöslichkeit
- soluble
- BRN
- 506012 · 506012
- Henry's Law Constant
- 9 · 9.0×107 mol/(m3Pa) at 25℃, HSDB (2015)
- Dielectric constant
- 18.99 · 18.989999999999998
- InChI
- 1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2
- InChIKey
- LHIJANUOQQMGNT-UHFFFAOYSA-N
- SMILES
- NCCNCCO
- LogP
- -2.2 · -2.2--1.46 at 20-25℃ and pH7-11
- Oberflächenspannung
- 67.11 mN/m · 67.11mN/m at 1g/L and 20℃
- CAS Datenbank
- 111 · 111-41-1(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Ethanol, 2-[(2-aminoethyl)amino]-(111-41-1)
- EPA chemische Informationen
- N-Hydroxyethylethylenediamine (111-41-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P203, P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Danger
H290 (13.6%): May be corrosive to metals [Warning Corrosive to Metals]
P203, P234, P260, P261, P264, P264+P265, P271, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P333+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: Ethanol, 2-[(2-aminoethyl)amino]-
Hazard Traits - Reproductive Toxicity
Regulation (EC) No 1935/2004 (amended)
Ethanol, 2-[(2-aminoethyl)amino]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-[(2-aminoethyl)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: 02-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/31740
2-(2-Aminoethylamino) ethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Liquid causes second degree burns after contact for a few minutes. [CHRIS] A mild irritant to the skin and a severe irritant to the eyes; [CAMEO] Aminoethylethanolamine-based fluxes are skin sensitizers; they are commonly used in the soldering of printed circuit boards. [Marks, p. 318] A lachrymator; [CHEMINFO]
Reactivity Profile
AMINOETHYLETHANOLAMINE is an amine and alcohol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. This chemical is hygroscopic.
Atmospheric Standards
This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Aminoethylethanolamine is produced, as an intermediate or a final product, by process units covered under this subpart.
Sicherheit und Schutzausrüstung
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Fire Fighting Procedures
ALCOHOL FOAM, MIST, DRY CHEMICAL ...
If material /is/ on fire or involved in /a/ fire do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Solid streams of water may be ineffective. Use "alcohol" foam, dry chemical or carbon dioxide.
Preventive Measures
If material /is/ not on fire and not involved in /a/ fire keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary.
Avoid breathing vapors. Keep upwind. Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. ... If contact with the material anticipated, wear appropriate chemical protective clothing.
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
Protective Action Criteria (PAC)
9.0 [mg/m3]
99 [mg/m3]
590 [mg/m3]
Personal Protective Equipment (PPE)
Goggles or face shield, protective clothing (USCG, 1999)
Wear butyl gloves, face shield or multipurpose gas mask, and coveralls.
Toxikologische Informationen
Environmental Fate
TERRESTRIAL FATE: The results of one biodegradation screening study have indicated that aminoethyl ethanolamine biodegrades readily(1); therefore, biodegradation may be an important transformation process in soil(SRC). Aminoethyl ethanolamine has a pKa of 7.21(2) that indicates it can exist in both the protonated and neutral forms in environmental media; neutral aminoethyl ethanolamine is expected to leach readily. However, the mobility of protonated aminoethyl ethanolamine in soil can not be predicted without additional experimental data(SRC).
AQUATIC FATE: The results of one biodegradation screening study have indicated that aminoethyl ethanolamine biodegrades readily(1); therefore, biodegradation may be an important transformation process in water. Aquatic bioconcentration and volatilization are not expected to be important because of the high solubility of aminoethyl ethanolamine(SRC).
ATMOSPHERIC FATE: Based upon a vapor pressure of 8.19X10-4 mm Hg at 25 °C(1), aminoethyl ethanolamine is expected to exist primarily in the vapor-phase in the ambient atmosphere(2,SRC). It will degrade rapidly in the atmosphere by the vapor-phase reaction with photochemically produced hydroxyl radicals with an estimated half-life of 3.3 hr(3,SRC). Aminoethyl ethanolamine is miscible with water(4), therefore, physical removal from air by wet deposition (dissolution in clouds, rainfall, etc) is possible(SRC).
Soil Adsorption/Mobility
Based upon an estimated log Kow of -1.39(1), the Koc for aminoethyl ethanolamine can be estimated to be 4.2 from applicable regression-derived equation(2,SRC). This estimated Koc value indicates that aminoethyl ethanolamin is very highly mobile in soil(3). Aminoethyl ethanolamine is miscible in water(4) which also indicates high soil mobility(SRC). However, aminoethyl ethanolamine has a pKa of 7.21(5) that indicates it can exist in both the protonated and neutral forms in environmental media; the Koc estimate above applies to neutral aminoethyl ethanolamine, but not to protonated aminoethyl ethanolamine(SRC). The mobility of protonated aminoethyl ethanolamine in soil can not be predicted without additional experimental data(SRC).
Human Toxicity Excerpts
Soldering flux used in the electronics industry can cause both irritant and allergic contact dermatitis. Irritant dermatitis is more common than allergic contact dermatitis. Aminoethylethanolamine, a constituent of some fluxes, is a sensitizer. Dermatitis tends to start over the periungal area and spread to the finger shafts and sometimes the wrists. The use of cotton gloves by workers appeared to aggravate the problem.
Environmental Bioconcentration
Based upon an estimated log Kow of -1.39(1), the BCF for aminoethyl ethanolamine can be estimated to be 0.05 from a recommended regression-derived equation(2,SRC). This estimated BCF value indicates that bioconcentration in aquatic organisms is not important. Aminoethyl ethanolamine is miscible in water(3) which also indicates that bioconcentration is not important(SRC).
Volatilization from Water/Soil
The Henry's Law constant for aminoethyl ethanolamine can be estimated to be 1.10X10-13 atm-cu m/mole using a structure estimation method(1,SRC). This value of Henry's Law constant indicates that aminoethyl ethanolamine is essential non-volatile from water(2); therefore, volatilization from water will not be important(SRC).
Environmental Abiotic Degradation
The rate constant for the vapor-phase reaction of aminoethyl ethanolamine with photochemically produced hydroxyl radicals has been estimated to be 1.16X10-10 cu cm/molecule-sec at 25 °C which corresponds to an atmospheric half-life of about 3.3 hrs at an atmospheric concn of 5X10+5 hydroxyl radicals per cu cm(1,SRC).
Probable Routes of Human Exposure
Occupational exposure to aminoethyl ethanolamine occurs through dermal contact(1).
NIOSH (NOES Survey 1981-1983) has statistically estimated that 7,385 workers are potentially exposed to aminoethyl ethanolamine in the USA(1). NIOSH (NOHS Survey 1972-1974) has statistically estimated that 1,558 workers are potentially exposed to aminoethyl ethanolamine in the USA(2).
Environmental Fate/Exposure Summary
If released to the atmosphere, aminoethyl ethanolamine will exist primarily in the vapor-phase where it will degrade rapidly by reaction with photochemically produced hydroxyl radicals (estimated half-life of 3.3 hours). Physical removal from the atmosphere may be possible through wet deposition. If released to soil or water, aminoethyl ethanolamine will probably biodegrade. The results of one biodegradation screening study have indicated that aminoethyl ethanolamine biodegrades readily. Aminoethyl ethanolamine can exist in both the neutral and protonated forms in environmental media; the neutral form may leach readily; the mobility of the protonated form is not known. Occupational exposure occurs through skin contact. (SRC)
Regulatorische Informationen
Atmospheric Standards
This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Aminoethylethanolamine is produced, as an intermediate or a final product, by process units covered under this subpart.
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29221980
- RTECS-Nr.
- KJ6300000
- risk_code
- 34-43-61-62
- Toxizität
- LD50 orally in Rabbit: 3000 mg/kg LD50 dermal Rabbit > 2000 mg/kg
- hazard_code
- C,T
- safety_code
- 26-36/37/39-45-53-28A
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Giftige Stoffe Daten
- 111-41-1(Hazardous Substances Data)
- Hazard Classifications
- Eye Dam. 1Repr. 1BSkin Corr. 1BSkin Sens. 1STOT SE 3
- Selbstentzündungstemperatur
- 345 °C
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as a chemical intermediate, textile finishing compound, and additive to oils in metal cutting; [HSDB] Occupational asthma reported in solderer and cable jointer; [Malo]
Metal Machining [Category: Heat or Machine]
CHEM INT FOR CHELATING AGENTS, DETERGENTS & EMULSIFIERS, CORROSION INHIBITORS, MINING CHEMICALS, GASOLINE STABILIZERS, DYEING ASSISTANTS, MODIFYING AGENTS (TEXTILES), 2,4-D HERBICIDE SALTS, OILS USED IN TEXTILE PROCESSING, OILS USED IN METAL CUTTING, AND GAS PROCESSING CHEMICALS
TEXTILE FINISHING CMPD (ANTIFUMING AGENTS, DYESTUFFS, CATIONIC SURFACTANTS); RESINS, RUBBER PRODUCTS; INSECTICIDES, CERTAIN MEDICINALS
U.S. Production
2023: 10,000,000 - <50,000,000 lb
(1972) 3.99X10+9 G
(1976) 4.90X10+9 G (SALES)
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Ethanol, 2-[(2-aminoethyl)amino]-: ACTIVE
Anwendungen
BeschreibungAminoethylethanolamine is a component of colophony in soldering flux, which may cause contact and airborne contact dermatitis in workers in the electronic industry or in cable jointers.
VerwendenTextile finishing compounds (antifuming agents, dyestuffs, cationic surfactants), resins, rubber products, insecticides, and certain medicinals.
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