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N-Methyl-1-butanamin

N-Methylbutylamine

HCID 8068
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Grundinformationen

CAS
110-68-9
Standard-SMILES
CCCCNC
InChIKey
QCOGKXLOEWLIDC-UHFFFAOYSA-N
Summenformel
C5H13N
Durchschnittliche Molmasse
87,16 g/mol
Monoisotopische Masse
87,10479942

Überblick

N-methylbutylamine appears as a water-white liquid with an ammonia-like odor. Density 0.736 g / cm3 and flash point 35 °F (Aldrich). Vapors heavier than air. Used to make other chemicals.

Namen und Bezeichner

Bevorzugter Name
N-Methylbutylamine
IUPAC
N-methylbutan-1-amine
Lokaler Name
N-Methyl-1-butanamin
Englischer Name
N-Methylbutylamine
Summenformel
C5H13N
Molmasse
87.16

Namen und Synonyme

N-Methylbutylamine110-68-9MethylbutylamineN-ButylmethylamineButylmethylamineN-Methyl-N-butylamineN-Butyl-N-methylamineN-MethylbutanamineN-methyl-1-butanamine1-Butanamine, N-methyl-N-METHYL BUTYLAMINEButylamine, N-methyl-
Weitere Namen anzeigen
nmbuaN-ButylmethylaminN-MethylbutylaminN-Methybutylaminen-methyl-butylamin
N-(Methyl) butyl amineMethyl-N-butylamineMethylaminobutaneUN2945HSDB 2748EINECS 203-791-261NTK0473LDTXSID9059389

Datenbank-Bezeichner

CAS
110-68-9
PubChem CID
8068
DTXSID
DTXSID9059389
ChEBI
CHEBI:59019
UNII
61NTK0473L
EC Number
203-791-2
Nikkaji
J35.114H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,3
Polarare Oberfläche (TPSA)
12 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
3
Schwere Atome
6
Formalladung
0
Komplexität
19,9

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Nitrogen Compounds -> Amines, Aliphatic

Flammable agents - 3rd degree

SpringerMaterials PropertiesBoiling point
LogP · 2 Einträge

log Kow = 1.33

1.33

Density · 2 Einträge

0.7637 g/cu cm at 15 °C

0.7335 @25 °C

Color/FormLiquid
SolubilityMiscible in water
Flash Point · 2 Einträge

55 °F (NFPA, 2010)

55 °F (13 °C) (open cup)

Boiling Point · 2 Einträge

91 °C

91 °C @760 [mm Hg]

DecompositionWhen heated to decomposition it emits toxic fumes of nitroxides.
Melting Point · 2 Einträge

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Butylmethylamine: 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.)

DOT LabelFlammable Liquid Corrosive
Fire Hazards · 2 Einträge

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

· Flammable/combustible material.

Fire PotentialFLAMMABLE LIQUID WHEN EXPOSED TO HEAT, SPARKS, OR FLAME.
Health Hazards · 2 Einträge

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

· May cause toxic effects if inhaled or ingested.

Hazards Summary · 1 Eintrag

Flammable liquid; [Hawley] A skin and severe eye irritant; Emergency treatment: Corrosives- alkaline; [HSDB] May cause burns; [CAMEO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; May cause edema and chemical pneumonitis; [MSDSonline]

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used as an intermediate; [Hawley]

Intermediate

General Manufacturing Information1-Butanamine, N-methyl-: ACTIVE

Anwendungen

VerwendenIntermediate.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

N,N-DimethylbutylaminMethanolAmeisensuren-Butylamin

Nachgelagerte Produkte

N,N,N',N'-Tetramethyl-4,4'-benzylidendianilinTributylaminN-(2-bromobenzyl)-N-butyl-N-methylamine

Ergänzende Hinweise

DefinitionChEBI: A secondary aliphatic amine having methyl and n-butyl as the two alkyl groups.

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Freezing point: -75.0 °C

-75 °C

Vapor Density3.0 (AIR= 1)
Vapor Pressure50.5 [mmHg]

Physikochemische Eigenschaften

Schmelzpunkt
-75 °C · -75 °C
Siedepunkt
90.5 · 90.5-91.5 °C(lit.)
Dichte
0.736 g/mL · 0.736 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.3995(lit.)
Flammpunkt
35 °F · 35 °F
storage temp.
30 °C · Store below +30°C.
pka
1 · pK1: 10.90(+1) (25°C)
Aggregatzustand
clear liquid
Farbe
Colorless to Light orange to Yellow
Explosionsgrenze
1.3 % · 1.3%(V)
BRN
1209231 · 1209231
Henry's Law Constant
1.3 · 1.3×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
InChI
1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3/p+1
InChIKey
QCOGKXLOEWLIDC-UHFFFAOYSA-O
CAS Datenbank
110 · 110-68-9(CAS DataBase Reference)
EPA chemische Informationen
1 · 1-Butanamine, N-methyl- (110-68-9)
DOT ID and Guide2945 132
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 Eintrag

N-METHYLBUTYLAMINE 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.

DOT Emergency Guidelines · 5 Einträge

/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Fire or Explosion: Flammable/combustible material. May be ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Health: May cause toxic effects if inhaled or ingested/swallowed. Contact with substance may cause severe burns to skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.

/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible.

For more DOT Emergency Guidelines (Complete) data for BUTYLMETHYLAMINE (8 total), please visit the HSDB record page.

DOT Hazard Classification · 5 Einträge

N-Methylbutylamine

UN2945

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG II: the degree of danger presented by the material is medium

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting Procedures · 2 Einträge

ALCOHOL FOAM

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 be ineffective. Cool all affected containers with flooding quantities of water. Use "alcohol" foam, dry chemical or carbon dioxide. Keep run-off water out of sewers and water sources.

Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Disposal Methods · 2 Einträge

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 · 3 Einträge

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.

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 knock-down vapors.

Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. If contact with the material anticipated, wear appropriate chemical protective clothing.

Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Immediate precautionary measure

Protective Action Criteria (PAC) · 3 Einträge

1.3 [ppm]

14 [ppm]

86 [ppm]

Personal Protective Equipment (PPE) · 3 Einträge

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

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.

Emergency Response Planning Guidelines· Some of these materials may react violently with water.

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 130(SRC), determined from a log Kow of 1.33(2) and a regression-derived equation(3), indicates that butylmethylamine is expected to have high mobility in soil(SRC). The pKa of butylmethylamine is 10.9(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 butylmethylamine from moist soil surfaces is not expected to be an important fate process given its cationic state(SRC). Butylmethylamine is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 50 mm Hg(SRC), determined from a fragment constant method(6).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 130(SRC), determined from a log Kow of 1.33(2) and a regression-derived equation(3), indicates that butylmethylamine is expected to adsorb to suspended solids and sediment(SRC). A pKa of 10.9(4) indicates butylmethylamine 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 log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), butylmethylamine, which has an estimated vapor pressure of 50 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 butylmethylamine 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 7.8X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Butylmethylamine 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).

Food Survey ValuesButylmethylamine was detected in evaporated milk at a concentration of 0.2 ppm(1).
Adverse EffectsDermatotoxin - Skin burns.
Milk ConcentrationsButylmethylamine was detected in evaporated milk at a concn of 0.2 ppm(1).
Plant ConcentrationsAliphatic amines, including butylmethylamine were identified, not quantified, in tobacco leaves(1).
Soil Adsorption/Mobility · 1 Eintrag

The Koc of butylmethylamine is estimated as 130(SRC), using a log Kow of 1.33(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that butylmethylamine is expected to have high mobility in soil. The pKa of butylmethylamine is 10.9(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).

Natural Pollution Sources · 2 Einträge

... amines from decomposing fish ... /Amines/

Aliphatic amines, including butylmethylamine were identified, not quantified, in tobacco leaves(1).

Human Toxicity Excerpts · 1 Eintrag

/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/

Artificial Pollution SourcesButylmethylamine's production and use as a chemical intermediate(1) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationAEROBIC: Pure cultures of the fungus Penicillium digitatum readily biodegraded primary amines, but secondary amines such as butylmethylamine were much slower to biodegrade(1).
Environmental Bioconcentration · 1 Eintrag

An estimated BCF of 2 was calculated in fish for butylmethylamine(SRC), using a log Kow of 1.33(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 · 1 Eintrag

A pKa of 10.9(1) indicates butylmethylamine will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil surfaces is not expected to be an important fate process(2). Butylmethylamine is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 50 mm Hg(SRC), determined from a fragment constant method(3).

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2945
hs_code
29211999
RTECS-Nr.
EO5250000
risk_code
11-20/21/22-34
Toxizität
LD50 orally in Rabbit: 420 mg/kg LD50 dermal Rabbit 932 mg/kg
hazard_code
F,C
safety_code
16-26-36/37/39-45
hazard_class
3
packing_group
II
Speicherklasse
3 - Flammable liquids
Giftige Stoffe Daten
110-68-9(Hazardous Substances Data)
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 4 OralFlam. Liq. 2Skin Corr. 1B