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메틸노르말부틸아민

N-Methylbutylamine

HCID 8068
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
110-68-9
표준 SMILES
CCCCNC
InChIKey
QCOGKXLOEWLIDC-UHFFFAOYSA-N
분자식
C5H13N
평균 분자량
87.16 g/mol
단동위원소 질량
87.10479942

개요

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.

이름 및 식별자

우선 이름
N-Methylbutylamine
IUPAC
N-methylbutan-1-amine
현지명
메틸노르말부틸아민
영어명
N-Methylbutylamine
분자식
C5H13N
분자량
87.16

이름 및 동의어

N-Methylbutylamine110-68-9MethylbutylamineN-ButylmethylamineButylmethylamineN-Methyl-N-butylamineN-Butyl-N-methylamineN-MethylbutanamineN-methyl-1-butanamine1-Butanamine, N-methyl-N-METHYL BUTYLAMINEButylamine, N-methyl-
이름 더 보기
N-메틸부틸아민N-메틸뷰틸아민메틸노르말부틸아민뷰틸메틸아민nmbuaN-ButylmethylaminN-MethylbutylaminN-Methybutylaminen-methyl-butylamin
N-(Methyl) butyl amineMethyl-N-butylamineMethylaminobutaneUN2945HSDB 2748EINECS 203-791-261NTK0473LDTXSID9059389

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.3
극성 표면적
12 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
3
무거운 원자 수
6
형식 전하
0
복잡도
19.9

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Amines, Aliphatic

Flammable agents - 3rd degree

SpringerMaterials PropertiesBoiling point
LogP · 2건

log Kow = 1.33

1.33

Density · 2건

0.7637 g/cu cm at 15 °C

0.7335 @25 °C

Color/FormLiquid
SolubilityMiscible in water
Flash Point · 2건

55 °F (NFPA, 2010)

55 °F (13 °C) (open cup)

Boiling Point · 2건

91 °C

91 °C @760 [mm Hg]

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

Freezing point: -75.0 °C

-75 °C

Vapor Density3.0 (AIR= 1)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

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 · 2건

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

· Flammable/combustible material.

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

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

· May cause toxic effects if inhaled or ingested.

Hazards Summary · 1건

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]

화학 및 산업

용도 및 제조

Uses · 2건

Used as an intermediate; [Hawley]

Intermediate

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

응용 분야

용도Intermediate.

일반 설명A 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.

상·하류 제품 정보

상류 원료

부틸디메틸아민메틸알콜개미산모노부틸아민

하류 제품

류코말라카이트그린트리부틸아민N-(2-bromobenzyl)-N-butyl-N-methylamine

추가 설명

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

관련 반응

174건
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Vapor Pressure50.5 [mmHg]

물리화학적 성질

녹는점
-75 °C · -75 °C
끓는 점
90.5 · 90.5-91.5 °C(lit.)
밀도
0.736 g/mL · 0.736 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.3995(lit.)
인화점
35 °F · 35 °F
저장 조건
30 °C · Store below +30°C.
산도 계수 (pKa)
1 · pK1: 10.90(+1) (25°C)
물리적 상태
투명한 액체
색상
Colorless to Light orange to Yellow
폭발한계
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
EPA
1 · 1-Butanamine, N-methyl- (110-68-9)

화학적 성질

CLEAR COLOURLESS LIQUID

DOT ID and Guide2945 132
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsHighly Flammable
Reactivity Profile · 1건

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 · 5건

/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 · 5건

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

안전 및 보호

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

· 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 · 2건

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 · 2건

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 · 2건

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 · 3건

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 · 2건

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

Immediate precautionary measure

Protective Action Criteria (PAC) · 3건

1.3 [ppm]

14 [ppm]

86 [ppm]

Personal Protective Equipment (PPE) · 3건

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.

독성 정보

Environmental Fate · 3건

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 · 1건

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 · 2건

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

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

Human Toxicity Excerpts · 1건

/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 · 1건

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 · 1건

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).

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
EO5250000
ridadr
UN 2945
독성
LD50 orally in Rabbit: 420 mg/kg LD50 dermal Rabbit 932 mg/kg
HS 번호
29211999
risk_code
11-20/21/22-34
hazard_code
F,C
safety_code
16-26-36/37/39-45
포장분류
II
위험 등급
3
기존화학 물질
KE-04328
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 4 OralFlam. Liq. 2Skin Corr. 1B
스토리지 클래스
3 - Flammable liquids
유해 물질 데이터
110-68-9(Hazardous Substances Data)