N-ブチルエチルアミン

Butylethylamine

HCID 25914CAS 13360-63-9

基本情報

標準SMILES
CCCCNCC
InChIKey
QHCCDDQKNUYGNC-UHFFFAOYSA-N
分子式
C6H15N
平均分子量
101.19 g/mol
単同位体質量
101.12044948

概要

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.

名称と識別子

優先名称
Butylethylamine
IUPAC
N-ethylbutan-1-amine
現地名
N-ブチルエチルアミン
英語名
Ethylbutylamine
分子式
C6H15N
分子量
101.19

名称と別名

13360-63-9EthylbutylamineN-Ethyl-n-butylamine1-Butanamine, N-ethyl-Butyl(ethyl)amineEthyl-n-butylamineN-EthylbutanamineBUTYLETHYLAMINEN-Butyl-N-ethylamineCCRIS 4815DTXSID6025276ethyl butyl amine
名称をさらに表示
N-ブチルエチルアミンN-エチルブチルアミンN-エチル-N-ブチルアミンN-n-ブチルエチルアミンN‐エチル‐N‐ブチルアミンEBAN-ETHYLBUTYLAMINEN-Ethylbutan-1-amineButyl(ethyl)aminN-Butylethylamine
EINECS 236-415-0BRN 1731324HSDB 7532ETHYL(BUTYL)AMINEBUTYLETHYLAMINE [HSDB]DTXCID405276EC 236-415-04-04-00-00547 (Beilstein Handbook Reference)

データベース識別子

CAS
13360-63-9
PubChem CID
25914
DTXSID
DTXSID6025276
ChEMBL
CHEMBL1598939
UNII
87M855WB7X
EC Number
236-415-0
Nikkaji
J35.488K

物性

構造計算による物性

XLogP
1.6
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
4
重原子数
7

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
Density · 2 件

0.7398 at 68 °F (USCG, 1999) - Less dense than water; will float

0.7398 g/cu cm at 20 °C/4 °C

Color/FormLiquid
Solubility · 4 件

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 · 2 件

65 °F (NTP, 1992)

64 °F (18 °C) (open cup)

物理化学的性質

融点
-87.87 °C · -87.87°C (estimate)
沸点
108 °C · 108 °C (lit.)
比重(密度)
0.74 g/mL · 0.74 g/mL at 25 °C (lit.)
蒸気密度
3.5 · 3.5 (vs air)
蒸気圧
18 mm · 18 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.405(lit.)

化学的性質

化学的特性Colorless to light yellow liqui

安全と法規制

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, 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.

危険有害性情報

Regulatory Information · 3 件

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.)

DOT LabelFlammable Liquid Poison
Fire HazardsSpecial Hazards of Combustion Products: May include nitrogen oxides.
Health HazardsINHALATION: Irritation of mucous membranes and lungs. EYES: Irritation. Corrosive, may cause blindness - Irreversible. SKIN: Irritation. Corrosive. INGESTION: Nausea and salivation. (USCG, 1999)
Hazards Summary · 1 件

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]

Reactive GroupAmines, Phosphines, and Pyridines

安全と保護具

Fire FightingExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
First Aid · 1 件

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 · 1 件

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.

Nonfire Spill ResponseExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
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

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.

毒性情報

Environmental Fate · 3 件

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).

Adverse EffectsDermatotoxin - Skin burns.
Soil Adsorption/Mobility · 1 件

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).

Natural Pollution Sources... amines from decomposing fish ... /Amines/
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 SourcesButylethylamine's production may result in its release to the environment through various wast streams(SRC). Specific methods or uses were not identified in the literature(1).

安全データ

wgk
1
tsca
TSCA listed
rtecs
EO4880000
ridadr
UN 2733 3/PG 2
hs_code
29211999
risk_code
11-22-34

化学と産業

用途と製造

Uses · 2 件

Used in organic synthesis; [NTP]

Specific methods or uses were not identified in the literature.

U.S. Production · 2 件

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).

Methods of ManufacturingEthanol + n-butylamine (amine formation)
General Manufacturing Information · 2 件

1-Butanamine, N-ethyl-: ACTIVE

Derivatives: benfluralin; pebulate

応用分野 · 2 件

使用Intermediate.

一般的な説明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.

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

関連反応

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