Grundinformationen
- Standard-SMILES
CCCCNCC- InChIKey
QHCCDDQKNUYGNC-UHFFFAOYSA-N- Summenformel
- C6H15N
- Durchschnittliche Molmasse
- 101,19 g/mol
- Monoisotopische Masse
- 101,12044948
Überblick
Ethyl-n-butylamine appears as a colorless liquid with an ammonia-like odor. Insoluble in water and less dense than water. Flash point 65 °F. Vapors much heavier than air. Liquid and vapors strongly irritate skin, eyes and mucous membranes. Contact with liquid may cause burns.
Namen und Bezeichner
- Bevorzugter Name
- Butylethylamine
- IUPAC
- N-ethylbutan-1-amine
- Lokaler Name
- Butyl(ethyl)amin
- Englischer Name
- Ethylbutylamine
- Summenformel
- C6H15N
- Molmasse
- 101.19
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
13360-63-9- PubChem CID
- 25914
- DTXSID
DTXSID6025276- ChEMBL
CHEMBL1598939- UNII
- 87M855WB7X
- EC Number
- 236-415-0
- Nikkaji
- J35.488K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 12 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 27,4
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Nitrogen Compounds -> Amines, Aliphatic
Flammable agents - 3rd degree
Density
0.7398 at 68 °F (USCG, 1999) - Less dense than water; will float
0.7398 g/cu cm at 20 °C/4 °C
Solubility
Slightly soluble (1-10 mg/ml) (NTP, 1992)
Miscible in ethanol, diethyl ether, acetone, benzene
Soluble in oxygenated solvents
In water, 3.56X10+4 mg/L at 25 °C
Flash Point
65 °F (NTP, 1992)
64 °F (18 °C) (open cup)
Boiling Point
226 to 228 °F at 760 mmHg (NTP, 1992)
107.5 °C
Melting Point
-108 °F (NTP, 1992)
Freezing point: -78 °C
Physical Description
Ethyl-n-butylamine appears as a colorless liquid with an ammonia-like odor. Insoluble in water and less dense than water. Flash point 65 °F. Vapors much heavier than air. Liquid and vapors strongly irritate skin, eyes and mucous membranes. Contact with liquid may cause burns.
Colorless liquid with an ammonical odor; [CAMEO] Clear colorless liquid; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- -87.87 °C · -87.87°C (estimate)
- Siedepunkt
- 108 °C · 108 °C (lit.)
- Dichte
- 0.74 g/mL · 0.74 g/mL at 25 °C (lit.)
- Dampfdichte
- 3.5 · 3.5 (vs air)
- Dampfdruck
- 18 mm · 18 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.405(lit.)
- Flammpunkt
- 18 °C · 18 °C
- storage temp.
- Flammables area
- Löslichkeit
- soluble in Chloroform, Methanol
- pka
- 10.84 · 10.84±0.19(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow to Light orange
- Wasserlöslichkeit
- partly soluble
- BRN
- 1731324 · 1731324
- Henry's Law Constant
- 1.3 · 1.3×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
- Stabilität
- Volatile
- InChI
- 1S/C6H15N/c1-3-5-6-7-4-2/h7H,3-6H2,1-2H3
- InChIKey
- QHCCDDQKNUYGNC-UHFFFAOYSA-N
- SMILES
- CCCCNCC || CCCCNCC
- LogP
- -0.1 at · -0.1 at 25℃
- CAS Datenbank
- 13360 · 13360-63-9(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1-Butanamine, n-ethyl-(13360-63-9)
- EPA chemische Informationen
- Ethylbutylamine (13360-63-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25580
1-Butanamine, N-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards Summary
A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; [CAMEO] Vapor is irritating to eyes, nose, and throat; Liquid can burn skin and eyes; [CHRIS] Highly flammable; Causes burns; Harmful by ingestion, inhalation, and skin absorption; Inhalation can cause corrosive effects to the upper respiratory tract and lungs; [Aldrich MSDS]
Reactivity Profile
ETHYL-N-BUTYLAMINE can react vigorously with oxidizing materials (NTP, 1992). Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
NFPA Hazard Classification
3 - Materials that, under emergency conditions, can cause serious or permanent injury.
3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.
0 - Materials that in themselves are normally stable, even under fire conditions.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable agents - 3rd degree
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
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide.
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
/Absorb small spills with paper and/ burn the paper in a suitable location away from combustible materials. Large quantities can be reclaimed or collected & atomized in suitable combustion chamber equipped with appropriate effluent gas cleaning device.
Preventive Measures
If material not on fire and not involved in 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. Attempt to stop leak if without undue personnel hazard. Use water spray to disperse vapors and dilute standing pools of liquid.
Personnel protection: 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: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Personal Protective Equipment (PPE)
Wear safety goggles, rubber gloves and apron, respiratory protective equipment, non sparking shoes. (USCG, 1999)
SRP: When working with strong solutions of acids or bases or other caustic or corrosive materials, always wear a full face mask. When working with caustic or corrosive gases or vapors, a full face mask will not protect the eyes or prevent inhaling the material. A full face respirator is required.
Personnel protection : ... Wear appropriate chemical protective gloves, boots and goggles. ... Wear positive pressure self-contained breathing apparatus when fighting fires involving this material.
Toxikologische Informationen
Environmental Fate
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 14(SRC), determined from a water solubility of 3.56X10+4 mg/L(2) and a regression-derived equation(3), indicates that butylethylamine is expected to have very high mobility in soil(SRC). The estimated pKa of butylethylamine is 10.69(4) indicating that this compound will exist almost entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). Volatilization of butylethylamine from moist soil surfaces is not expected to be an important fate process given its cationic state(SRC). Butylethylamine is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 27 mm Hg(SRC), determined from a fragment constant method(6). Butylethylamine is confirmed to be biodegradable according to the standard test of the Japanese Ministry of Industry and Trade (MITI)(7).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 14(SRC), determined from a water solubility of 3.56X10+4 mg/L(2) and a regression-derived equation(3), indicates that butylethylamine is not expected to adsorb to suspended solids and sediment(SRC). An estimated pKa of 10.69(4) indicates butylethylamine will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(5). According to a classification scheme(6), an estimated BCF of 2(SRC), from its water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Butylethylamine is confirmed to be biodegradable according to the standard test of the Japanese Ministry of Industry and Trade (MITI)(7).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), butylethylamine, which has an estimated vapor pressure of 27 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase butylethylamine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 5 hours(SRC), calculated from its rate constant of 8.5X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Butylethylamine does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).
Soil Adsorption/Mobility
The Koc of butylethylamine is estimated as 14(SRC), using a water solubility of 3.56X10+4 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that butylethylamine is expected to have very high mobility in soil. The estimated pKa of butylethylamine is 10.69(4) indicating that this compound will exist almost entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Human Toxicity Excerpts
/OTHER TOXICITY INFORMATION/ Since the amines are bases and may form strongly alkaline solutions, they can be damaging if splashed in the eye or if allowed to contaminate the skin. Otherwise they have no specific toxic properties, and the lower aliphatic amines are normal constituents of body tissues, so that they occur in a large number of foods, particularly fish, to which they impart a characteristic odor. One area of concern at present is the possibility that some aliphatic amines may react with nitrate or nitrite in vivo to form nitroso compounds, many of which are known to be potent carcinogens in animals ... . /Aliphatic amines/
Environmental Bioconcentration
An estimated BCF of 2 was calculated in fish for butylethylamine(SRC), using a water solubility of 3.56X10+4 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
Volatilization from Water/Soil
An estimated pKa of 10.69(1) indicates butylethylamine will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). Butylethylamine is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 27 mm Hg(SRC), determined from a fragment constant method(3).
Non-Human Toxicity Excerpts
/LABORATORY ANIMALS: Acute Exposure/ 2-Ethylbutylamine is a severe eye irritant with a rating of 9 out of 10 based on corneal injury in the rabbit.
/GENOTOXICITY/ Salmonella: negative
Environmental Abiotic Degradation
The rate constant for the vapor-phase reaction of butylethylamine with photochemically-produced hydroxyl radicals has been estimated as 8.5X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 5 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Butylethylamine is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). Butylethylamine does not contain chromophores that absorb at wavelengths >290 nm(2) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2733 3/PG 2
- hs_code
- 29211999
- RTECS-Nr.
- EO4880000
- risk_code
- 11-22-34
- hazard_code
- F,C
- safety_code
- 16-26-36/37/39-45-33
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Giftige Stoffe Daten
- 13360-63-9(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 2Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
Uses
Used in organic synthesis; [NTP]
Specific methods or uses were not identified in the literature.
U.S. Production
Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7222]
This chemical is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).
General Manufacturing Information
1-Butanamine, N-ethyl-: ACTIVE
Derivatives: benfluralin; pebulate
Anwendungen
VerwendenIntermediate.
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