N-エチルジエタノールアミン

Ethyldiethanolamine

HCID 8769CAS 139-87-7

基本情報

標準SMILES
CCN(CCO)CCO
InChIKey
AKNUHUCEWALCOI-UHFFFAOYSA-N
分子式
C6H15NO2
平均分子量
133.19 g/mol
単同位体質量
133.11027872

概要

This is a chemical weapon precursor or chemical weapon impurity which is similar to methyldiethanolamine. See the chemical datasheet for methyldiethanolamine for more information.

名称と識別子

優先名称
Ethyldiethanolamine
IUPAC
2-[ethyl(2-hydroxyethyl)amino]ethanol
現地名
N-エチルジエタノールアミン
英語名
N-ETHYLDIETHANOLAMINE
分子式
C6H15NO2
分子量
133.19

名称と別名

N-Ethyldiethanolamine139-87-72,2'-(Ethylazanediyl)diethanolEthyldiethanolamineETHYL DIETHANOLAMINEEthanol, 2,2'-(ethylimino)bis-DiethanolethylamineEthylbis(2-hydroxyethyl)amine2,2'-(Ethylimino)diethanolN-Ethyl-2,2'-iminodiethanol2,2'-(Ethylimino)bisethanol2-(N-Ethyl-N-2-hydroxyethylamino)ethanol
名称をさらに表示
N-エチルジエタノールアミンエチルジエタノールアミンNエチルジエタノルアミン2,2'-エチルイミノジエタノールN,N-ビス(2-ヒドロキシエチル)エチルアミンN‐エチルジエタノールアミンN-エチル-2,2'-イミノジエタノ-ル2,2'-ETHYLIMINODIETHANOLBIS(2-HYDROXYETHYL)ETHYLAMINEtl5962,2’-(ethylEthyldiethanolamin2,2'-(Ethylazanediyl)N-Ethyldiethanolamine,98%
Ethanol, 2,2'-(ethylimino)di-N,N-Bis(2-hydroxyethyl)ethylamineTL 596DTXSID8041955EINECS 205-379-8BRN 1735791HSDB 7674N-Bis(2-hydroxyethyl)-N-ethylamine

データベース識別子

CAS
139-87-7
PubChem CID
8769
DTXSID
DTXSID8041955
ChEMBL
CHEMBL3185566
ChEBI
CHEBI:132187
UNII
143560H1KL
EC Number
205-379-8
Nikkaji
J5.648K

物性

構造計算による物性

XLogP
0.1
極性表面積
43.7 Ų
水素結合供与体数
2
水素結合受容体数
3
回転可能結合数
5
重原子数
9

実験および物理化学的性質

Chemical Classes · 2 件

Nitrogen Compounds -> Ethanolamines

Industrial compound

SpringerMaterials Properties15N nuclear magnetic resonance spectrum
OdorAmine odor
Density1.0135 g/cu cm at 20 °C
Color/Form · 2 件

Water-white liquid

Yellow liquid

Solubility · 2 件

Very soluble in ethanol; slightly soluble in ethyl ether

In water, 1X10+6 mg/L at 25 °C (miscible)

物理化学的性質

融点
50 °C · −50 °C(lit.)
沸点
246 · 246-252 °C(lit.)
比重(密度)
1.014 g/mL · 1.014 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.4665(lit.)
闪点
255 °F · 255 °F
酸解離定数(Pka)
14.4 · 14.40±0.10(Predicted)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 20.1% (37 of 184) of reports.

Danger

H315 (20.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 184 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 InformationChemical: Ethanol, 2,2'-(ethylimino)bis-
Other Safety InformationIMAP assessments - Ethanol, 2,2'-(ethylimino)bis-: Environment tier I assessment
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Diethanolamine.
Reactive GroupAlcohols and Polyols
Special Reports · 1 件

Organization for the Prohibition of Chemical Weapons; Convention on the Prohibition of the Development, Production, Stockpiling and Use of Chemical Weapons and Their Destruction. Available from http://www.opcw.org as of November 12, 2008. The Chemical Weapons Convention (CWC) is an international treaty which bans the development, production, stockpiling, and transfer or use of chemical weapons. The Convention mandates the destruction and prohibition of chemical weapons and related facilities and provides for restrictions on international trade in toxic chemicals and precursors.

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.

安全と保護具

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.

Principles and methods for destruction of chemical weapons: ... "Destruction of chemical weapons" means a process by which chemicals are converted in an essentially irreversible way to a form unsuitable for production of chemical weapons, and which in an irreversible manner renders munitions and other devices unusable as such. ... Each ... /nation/ shall determine how it shall destroy chemical weapons, except that the following processes may not be used: dumping in any body of water, land burial or open-pit burning. It shall destroy chemical weapons only at specifically designated and appropriately designed and equipped facilities. ... Each ... /nation/ shall ensure that its chemical weapons destruction facilities are constructed and operated in a manner to ensure the destruction of the chemical weapons; and that the destruction process can be verified under the provisions of this Convention.

毒性情報

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1 for the neutral species(SRC), determined from a structure estimation method(2), indicates that ethyldiethanolamine is expected to have very high mobility in soil(SRC). The estimated pKa of ethyldiethanolamine is 8.7(3), indicating that this compound will partially exist in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). Volatilization of ethyldiethanolamine from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.1X10-10 atm-cu m/mole for the neutral species(SRC), using a fragment constant estimation method(5). Ethyldiethanolamine is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.5X10-3 mm Hg(SRC), determined from a fragment constant method(6). A 4% of theoretical BOD using activated sludge in the Japanese MITI test(7) suggests that biodegradation is not an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1 fro the neutral species(SRC), determined from a structure estimation method(2), indicates that ethyldiethanolamine is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant for the neutral species of 1.1X10-10 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). An estimated pKa of 8.7(5) indicates ethyldiethanolamine will exist partially 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(6). According to a classification scheme(6), and BCF values of <1.1 and <11(7), suggest the potential for bioconcentration in aquatic organisms is low(SRC). A 4% of theoretical BOD using activated sludge in the Japanese MITI test(7) suggests that biodegradation is not an important environmental fate process in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), ethyldiethanolamine, which has an estimated vapor pressure of 2.5X10-3 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 ethyldiethanolamine 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 3.7 hrs(SRC), calculated from its rate constant of 1.1X10-10 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Ethyldiethyethanolamine 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 · 1 件

Using a structure estimation method based on molecular connectivity indices(1), the Koc of ethyldiethanolamine can be estimated to be 1 for the neutral species(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethyldiethanolamine is expected to have very high mobility in soil. The pKa of ethyldiethanolamine is estimated as 8.7(3), indicating that this compound will partially exist in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).

Artificial Pollution SourcesEthyldiethanolamine's production and use as a solvent and detergent(1) may result in its release to the environment through various waste streams(SRC).
Environmental Biodegradation · 1 件

AEROBIC: Ethyldiethanolamine, present at 100 mg/L, reached 4% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(1). Ethyldiethanolamine, added at daily increments of 15 mg/L, reached 3.60% of its TOD during a five day biochemical oxygen demand test using an acclimated sewage culture(2).

Environmental Bioconcentration · 1 件

BCF values of <1.1 (0.5 mg/L) and <11 (0.05 mg/L) were reported in carp which were exposed to ethyldiethanolamine over a 6-week period(1). According to a classification scheme(2), these BCF values suggest the potential for bioconcentration in aquatic organisms is low(SRC).

Volatilization from Water/Soil · 1 件

The Henry's Law constant for the neutral form of ethyldiethanolamine is estimated as 1.1X10-10 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that ethyldiethanolamine is expected to be essentially nonvolatile from water surfaces(2). Ethyldiethanolamine's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Ethyldiethanolamine is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.5X10-3 mm Hg(SRC), determined from a fragment constant method(3).

法規制情報

DHS Chemicals of Interest (COI) · 4 件

Ethyldiethanolamine

80

220

Chemical Weapons/Chemical Weapons Precursors chemical material that, if stolen or diverted, can be converted into weapons using simple chemistry, equipment, or techniques.

安全データ

wgk
2
tsca
TSCA listed
rtecs
KK9800000
ridadr
2735
毒性
rabbit,LD50,intravenous,> 200mg/kg (200mg/kg),National Technical Information Service. Vol. PB158-507,
hs_code
29221930

化学と産業

用途と製造

Uses · 3 件

Used as a precursor to nitrogen mustard (HN-1), as a solvent, and in detergents; [HSDB] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]

Precursor to HN1. /bis-(2 chloroethyl) ethylamine/

Solvent, detergents

U.S. ProductionProduction volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7328]
Methods of Manufacturing · 2 件

Synthesis: Ethylamine with ethylene oxide.

A variety of substituted alkanolamines can be made by reaction of oxide with the appropriate amine. /Substituted alkanolamines/

General Manufacturing Information · 3 件

Ethanol, 2,2'-(ethylimino)bis-: ACTIVE

Hydrolysis product of nitrogen mustards.

/The Chemical Weapons Convention (CWC) is an international treaty which bans the development, production, stockpiling, and transfer or use of chemical weapons. The Convention mandates the destruction and prohibition of chemical weapons and related facilities and provides for restrictions on international trade in toxic chemicals and precursors./ The Convention's monitoring and verification measures involve submission of declarations regarding ... /Schedule 1, 2, and 3 chemicals/ and inspections by the Organization for the Prohibition of Chemical Weapons of the facilities where these chemicals are produced. ... Schedule 3 chemicals ... /may/ have been stockpiled or used as weapons, but ... are produced /and used/ in large quantities for purposes not prohibited by the Convention (2). Ethyldiethanolamine is listed in the CWC Annex on Chemicals under Schedule 3 (1).

応用分野

使用Solvent, detergents.

上流・下流製品情報

サプライヤー50 社

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]

関連反応

7 件

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