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N-メチルブチルアミン

N-Methylbutylamine

HCID 8068
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
110-68-9
標準SMILES
CCCCNC
InChIKey
QCOGKXLOEWLIDC-UHFFFAOYSA-N
分子式
C5H13N
平均分子量
87.16 g/mol
単同位体質量
87.10479942

概要

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.

名称と識別子

優先名称
N-Methylbutylamine
IUPAC
N-methylbutan-1-amine
現地名
N-メチルブチルアミン
英語名
N-Methylbutylamine
分子式
C5H13N
分子量
87.16

名称と別名

N-Methylbutylamine110-68-9MethylbutylamineN-ButylmethylamineButylmethylamineN-Methyl-N-butylamineN-Butyl-N-methylamineN-MethylbutanamineN-methyl-1-butanamine1-Butanamine, N-methyl-N-METHYL BUTYLAMINEButylamine, N-methyl-
名称をさらに表示
N-メチルブチルアミンメチルブチルアミンブチルメチルアミンN-ブチルメチルアミンN-メチルブタン-1-アミンN-ブチル-N-メチルアミンN-メチル-1-ブタンアミンN-メチル-n-ブチルアミンnmbuaN-ButylmethylaminN-MethylbutylaminN-Methybutylaminen-methyl-butylamin
N-(Methyl) butyl amineMethyl-N-butylamineMethylaminobutaneUN2945HSDB 2748EINECS 203-791-261NTK0473LDTXSID9059389

データベース識別子

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

物性

構造計算による物性

XLogP
1.3
極性表面積
12 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
3
重原子数
6
形式電荷
0
複雑度
19.9

実験および物理化学的性質

Chemical Classes · 2 件

Nitrogen Compounds -> Amines, Aliphatic

Flammable agents - 3rd degree

SpringerMaterials PropertiesBoiling point
LogP · 2 件

log Kow = 1.33

1.33

Density · 2 件

0.7637 g/cu cm at 15 °C

0.7335 @25 °C

Color/FormLiquid
SolubilityMiscible in water
Flash Point · 2 件

55 °F (NFPA, 2010)

55 °F (13 °C) (open cup)

Boiling Point · 2 件

91 °C

91 °C @760 [mm Hg]

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

Freezing point: -75.0 °C

-75 °C

Vapor Density3.0 (AIR= 1)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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 件

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

· Flammable/combustible material.

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

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

· May cause toxic effects if inhaled or ingested.

Hazards Summary · 1 件

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]

化学と産業

用途と製造

Uses · 2 件

Used as an intermediate; [Hawley]

Intermediate

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

応用分野

使用Intermediate.

一般的な説明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.

上流・下流製品情報

上流原料

N-ブチルジメチルアミンメタノールぎ酸n-ブチルアミン

下流製品

ロイコマラカイトグリーントリブチルアミンN-(2-ブロモベンジル)-N-ブチル-N-メチルアミン

補足説明

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

関連反応

174 件
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HRID 14113 の反応式
HRID 14113反応物としてuspto-grants-2010_06
HRID 14119 の反応式
HRID 14119反応物としてuspto-grants-2010_06
HRID 14262 の反応式
HRID 14262溶媒としてuspto-grants-2010_06
HRID 14297 の反応式
HRID 14297反応物としてuspto-grants-2010_06
HRID 20709 の反応式
HRID 20709反応物としてuspto-grants-2010_06
HRID 20941 の反応式
HRID 20941反応物としてuspto-grants-2010_06
1 / 22 ページ

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
Vapor Pressure
50.5 [mmHg]

物理化学的性質

融点
-75 °C · -75 °C
沸点
90.5 · 90.5-91.5 °C(lit.)
比重(密度)
0.736 g/mL · 0.736 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.3995(lit.)
闪点
35 °F · 35 °F
貯蔵温度
30 °C · Store below +30°C.
酸解離定数(Pka)
1 · pK1: 10.90(+1) (25°C)
外見
clear liquid
色
Colorless to Light orange to Yellow
爆発限界(explosive limit)
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 データベース
110 · 110-68-9(CAS DataBase Reference)
EPAの化学物質情報
1 · 1-Butanamine, N-methyl- (110-68-9)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

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

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 件

/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 件

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

安全と保護具

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

· 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 件

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 件

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 件

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 件

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 件

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

Immediate precautionary measure

Protective Action Criteria (PAC) · 3 件

1.3 [ppm]

14 [ppm]

86 [ppm]

Personal Protective Equipment (PPE) · 3 件

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.

毒性情報

Environmental Fate · 3 件

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 件

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 件

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

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

Human Toxicity Excerpts · 1 件

/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 件

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 件

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).

安全データ

wgk
3
tsca
TSCA listed
rtecs
EO5250000
ridadr
UN 2945
毒性
LD50 orally in Rabbit: 420 mg/kg LD50 dermal Rabbit 932 mg/kg
hs_code
29211999
risk_code
11-20/21/22-34
消防法
危-4-1-II
hazard_code
F,C
safety_code
16-26-36/37/39-45
hazard_class
3
packing_group
II
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 4 OralFlam. Liq. 2Skin Corr. 1B
ストレージクラス
3 - Flammable liquids
有毒物質データの
110-68-9(Hazardous Substances Data)