에틸디에탄올아민(노르말)

Ethyldiethanolamine

HCID 8769CAS 139-87-7

기본 정보

표준 SMILES
CCN(CCO)CCO
InChIKey
AKNUHUCEWALCOI-UHFFFAOYSA-N
분자식
C6H15NO2
평균 분자량
133.19 g/mol
단동위원소 질량
133.11027872

개요

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

이름 및 식별자

우선 이름
Ethyldiethanolamine
IUPAC
2-[ethyl(2-hydroxyethyl)amino]ethanol
현지명
에틸디에탄올아민(노르말)
영어명
N-ETHYLDIETHANOLAMINE
분자식
C6H15NO2
분자량
133.19

이름 및 동의어

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
이름 더 보기
에틸다이에탄올아민에틸디에탄올아민(노르말)N-에틸디에탄올아민2,2'-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
0.1
극성 표면적
43.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
5
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Ethanolamines

Industrial compound

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

Water-white liquid

Yellow liquid

Solubility · 2건

Very soluble in ethanol; slightly soluble in ethyl ether

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

물리화학적 성질

녹는점
50 °C · −50 °C(lit.)
끓는 점
246 · 246-252 °C(lit.)
밀도
1.014 g/mL · 1.014 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.4665(lit.)
인화점
255 °F · 255 °F
산도 계수 (pKa)
14.4 · 14.40±0.10(Predicted)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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 · 1건

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.

안전 및 보호

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.

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.

독성 정보

Environmental Fate · 3건

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 · 1건

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 · 1건

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 · 1건

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 · 1건

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).

규제 정보

DHS Chemicals of Interest (COI) · 4건

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.

안전 데이터

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

화학 및 산업

용도 및 제조

Uses · 3건

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 · 2건

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 · 3건

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).

응용 분야

용도Solvent, detergents.

상·하류 제품 정보

공급사50 곳

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]

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