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아미노에틸 에탄올아민

N-(2-Hydroxyethyl)ethylenediamine

HCID 8112
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
111-41-1
표준 SMILES
NCCNCCO
InChIKey
LHIJANUOQQMGNT-UHFFFAOYSA-N
분자식
C4H12N2O
평균 분자량
104.15 g/mol
단동위원소 질량
104.09496301

개요

Aminoethylethanolamine appears as a clear colorless liquid with an ammonia-like odor. Corrosive to tissue. Combustible, but may be difficult to ignite. Less dense than water. Vapors heavier than air. Toxic oxides of nitrogen produced during combustion. Used to make other chemicals.

이름 및 식별자

우선 이름
N-(2-Hydroxyethyl)ethylenediamine
IUPAC
2-(2-aminoethylamino)ethanol
현지명
아미노에틸 에탄올아민
영어명
2-(2-Aminoethylamino)ethanol
분자식
C4H12N2O
분자량
104.15

이름 및 동의어

N-(2-Hydroxyethyl)ethylenediaminemonoethanol ethylenediamineRefChem:112035111-41-12-(2-Aminoethylamino)ethanolAminoethylethanolamine2-((2-Aminoethyl)amino)ethanolN-(Hydroxyethyl)ethylenediamineN-(2-Aminoethyl)ethanolamineN-(Aminoethyl)ethanolamine(2-Hydroxyethyl)ethylenediamine(2-Aminoethyl)ethanolamine
이름 더 보기
N-2-하이(2-AMINOETHYL)ETHANOLAMINE(2-아미노에틸)에탄올아민2-(2-아미노에틸아미노)에탄올2-(2-하이드록시에틸아미노)에틸아민N-(2-아미노에틸)에탄올아민아미노에틸에탄올아민아미노에틸에탄올아민(AEEA)아미노에틸 에탄올아민N-(2-하이드록시에틸)에틸렌다이아민모노에탄올에틸렌다이아민AEEA2-((2-Aminoethyl)amino)ethan-1-olAMINOETHYLETHANOLAMINaminoethylN-AMINOETHYL ETHANOLAMINEN-(2-Hydroxyethyl)-1,2-ethanediamine
Ethanolethylene diamineEthanol, 2-[(2-aminoethyl)amino]-Monoethanolethylenediamine2-[(2-Aminoethyl)amino]ethanolN-Hydroxyethyl-1,2-ethanediamineN-Hydroxyethylethylenediamine2-[(2-aminoethyl)amino]ethan-1-olDTXSID7025423

데이터베이스 식별자

CAS
111-41-1
PubChem CID
8112
DTXSID
DTXSID7025423
ChEMBL
CHEMBL3186403
UNII
RC78W6NPXT
EC Number
203-867-5
Nikkaji
J1.188F

물성

구조 계산 물성

XLogP
-1.7
극성 표면적
58.3 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
7
형식 전하
0
복잡도
32.9

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Ethanolamines

Corrosives

SpringerMaterials PropertiesBoiling point
OdorMILD AMMONIACAL ODOR
Density · 4건

1.028 at 77 °F (USCG, 1999) - Denser than water; will sink

1.0254 at 25 °C

1.028

1.03 @25 °C

Color/FormCOLORLESS LIQ
Solubility · 2건

greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)

VERY SOL IN WATER, ALCOHOL, ACETATE

Flash Point · 4건

216 °F (NTP, 1992)

132 °C

132 °C (CLOSED CUP)

216 °F

Boiling Point · 5건

460 to 464 °F at 760 mmHg (NTP, 1992)

238-40 °C

BP: 243.7 °C

460-464 °F

243 °C @760 [mm Hg]

Melting Point-33 °C
Vapor Density · 3건

안전 및 규제

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

GHS 분류

GHS Classification · 6건

Danger

H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P203, P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Danger

H290 (13.6%): May be corrosive to metals [Warning Corrosive to Metals]

P203, P234, P260, P261, P264, P264+P265, P271, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P333+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 6건

Chemical: Ethanol, 2-[(2-aminoethyl)amino]-

Hazard Traits - Reproductive Toxicity

Regulation (EC) No 1935/2004 (amended)

Ethanol, 2-[(2-aminoethyl)amino]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-[(2-aminoethyl)amino]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: 2-(2-aminoethylamino)ethanol (EC: 203-867-5)

2-(2-Aminoethylamino) ethanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Ethanol, 2-[(2-aminoethyl)amino]-: Environment tier I assessment
DOT LabelCorrosive
Fire HazardsThis chemical is combustible. (NTP, 1992)
Fire PotentialMODERATE, WHEN EXPOSED TO HEAT OR FLAME ...
Health Hazards

화학 및 산업

용도 및 제조

Uses · 4건

Used as a chemical intermediate, textile finishing compound, and additive to oils in metal cutting; [HSDB] Occupational asthma reported in solderer and cable jointer; [Malo]

Metal Machining [Category: Heat or Machine]

CHEM INT FOR CHELATING AGENTS, DETERGENTS & EMULSIFIERS, CORROSION INHIBITORS, MINING CHEMICALS, GASOLINE STABILIZERS, DYEING ASSISTANTS, MODIFYING AGENTS (TEXTILES), 2,4-D HERBICIDE SALTS, OILS USED IN TEXTILE PROCESSING, OILS USED IN METAL CUTTING, AND GAS PROCESSING CHEMICALS

TEXTILE FINISHING CMPD (ANTIFUMING AGENTS, DYESTUFFS, CATIONIC SURFACTANTS); RESINS, RUBBER PRODUCTS; INSECTICIDES, CERTAIN MEDICINALS

U.S. Production · 3건

2023: 10,000,000 - <50,000,000 lb

(1972) 3.99X10+9 G

(1976) 4.90X10+9 G (SALES)

Industry UsesIntermediate
Methods of ManufacturingREACTION OF ETHYLENEDIAMINE AND ETHYLENE OXIDE
Household ProductsInformation on 2 consumer products that contain Aminoethyl ethanolamine in the following categories is provided:
General Manufacturing Information · 2건

All Other Chemical Product and Preparation Manufacturing

Ethanol, 2-[(2-aminoethyl)amino]-: ACTIVE

응용 분야 · 3건

개요Aminoethylethanolamine is a component of colophony in soldering flux, which may cause contact and airborne contact dermatitis in workers in the electronic industry or in cable jointers.

용도Textile finishing compounds (antifuming agents, dyestuffs, cationic surfactants), resins, rubber products, insecticides, and certain medicinals.

일반 설명A clear colorless liquid with an ammonia-like odor. Corrosive to tissue. Combustible, but may be difficult to ignite. Less dense than water. Vapors heavier than air. Toxic oxides of nitrogen produced during combustion. Used to make other chemicals.

관련 반응

60건
반응 기록 만들기
HRID 67669 반응식
HRID 67669반응물로uspto-grants-1982_08
HRID 67670 반응식
HRID 67670반응물로uspto-grants-1982_08
HRID 67682 반응식
HRID 67682반응물로uspto-grants-1982_08
HRID 92151 반응식
HRID 92151반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 256540 반응식
HRID 256540반응물로uspto-grants-1993_11
HRID 259193 반응식
HRID 259193반응물로uspto-grants-1977_07
HRID 268552 반응식
HRID 268552반응물로uspto-grants-2008_11
HRID 268554 반응식
HRID 268554반응물로uspto-grants-2008_11
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화합물 노트

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3.59 (NTP, 1992) - Heavier than air; will sink (Relative to Air)

3.59

3.59

Vapor Pressure · 5건

less than 0.01 mmHg at 68 °F (NTP, 1992)

0.000819 [mmHg]

8.19X10-4 mm Hg at 25 °C

<0.01 mmHg

0.01 [mm Hg] @20 °C

Food Contact Substances · 2건

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

물리화학적 성질

녹는점
-28 °C · -28 °C
끓는 점
238 · 238-240 °C/752 mmHg (lit.)
밀도
1.03 g/mL · 1.03 g/mL at 25 °C (lit.)
증기 밀도
3.6 · 3.6 (vs air)
증기압
0.01 hPa · <0.01 hPa (20 °C)
굴절률
20 · n20/D 1.485(lit.)
인화점
230 °F · >230 °F
저장 조건
30 °C · Store below +30°C.
용해도
쉽게 용해됨
물리적 상태
액체
산도 계수 (pKa)
1 · pK1:7.21(+2);pK2:10.12(+1) (25°C)
색상
무색의
냄새
약한 암모니아 냄새
수소이온지수(pH)
11.8 · 11.8 (111g/l, H2O, 20℃)
폭발한계
3.3 · 3.3-10.1%(V)
수용성
녹는
BRN
506012 · 506012
Henry's Law Constant
9 · 9.0×107 mol/(m3Pa) at 25℃, HSDB (2015)
Dielectric constant
18.99 · 18.989999999999998
InChI
1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2
InChIKey
LHIJANUOQQMGNT-UHFFFAOYSA-N
SMILES
NCCNCCO
LogP
-2.2 · -2.2--1.46 at 20-25℃ and pH7-11
표면장력
67.11 mN/m · 67.11mN/m at 1g/L and 20℃
NIST
2 · Ethanol, 2-[(2-aminoethyl)amino]-(111-41-1)
EPA
N-Hydroxyethylethylenediamine (111-41-1)

화학적 성질

CLEAR VISCOUS LIQUID

Skin contact will cause mild irritation; eye contact will cause more severe irritation. (USCG, 1999)
Hazards Summary · 1건

Liquid causes second degree burns after contact for a few minutes. [CHRIS] A mild irritant to the skin and a severe irritant to the eyes; [CAMEO] Aminoethylethanolamine-based fluxes are skin sensitizers; they are commonly used in the soldering of printed circuit boards. [Marks, p. 318] A lachrymator; [CHEMINFO]

Reactive GroupAlcohols and Polyols
Special ReportsPepys J; Allergy of the Respiratory Tract to Low Molecular Weight Chemical Agents; Handbook of Experimental Pharmacology p. 163-85 (1983).
Reactivity Profile · 1건

AMINOETHYLETHANOLAMINE is an amine and alcohol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. This chemical is hygroscopic.

Atmospheric Standards · 1건

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Aminoethylethanolamine is produced, as an intermediate or a final product, by process units covered under this subpart.

Air and Water ReactionsWater soluble. Hygroscopic.

안전 및 보호

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
First Aid · 1건

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 · 2건

ALCOHOL FOAM, MIST, DRY CHEMICAL ...

If material /is/ on fire or involved in /a/ fire do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Solid streams of water may be ineffective. Use "alcohol" foam, dry chemical or carbon dioxide.

Cleanup MethodsOverspread sufficient sodium bisulfate and sprinkle water. Drain into the sewer with abundant water.
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Disposal MethodsAminoethyl ethanolamine is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration.
Preventive Measures · 3건

If material /is/ not on fire and not involved in /a/ 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.

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: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Protective Action Criteria (PAC) · 3건

9.0 [mg/m3]

99 [mg/m3]

590 [mg/m3]

Personal Protective Equipment (PPE) · 2건

Goggles or face shield, protective clothing (USCG, 1999)

Wear butyl gloves, face shield or multipurpose gas mask, and coveralls.

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: The results of one biodegradation screening study have indicated that aminoethyl ethanolamine biodegrades readily(1); therefore, biodegradation may be an important transformation process in soil(SRC). Aminoethyl ethanolamine has a pKa of 7.21(2) that indicates it can exist in both the protonated and neutral forms in environmental media; neutral aminoethyl ethanolamine is expected to leach readily. However, the mobility of protonated aminoethyl ethanolamine in soil can not be predicted without additional experimental data(SRC).

AQUATIC FATE: The results of one biodegradation screening study have indicated that aminoethyl ethanolamine biodegrades readily(1); therefore, biodegradation may be an important transformation process in water. Aquatic bioconcentration and volatilization are not expected to be important because of the high solubility of aminoethyl ethanolamine(SRC).

ATMOSPHERIC FATE: Based upon a vapor pressure of 8.19X10-4 mm Hg at 25 °C(1), aminoethyl ethanolamine is expected to exist primarily in the vapor-phase in the ambient atmosphere(2,SRC). It will degrade rapidly in the atmosphere by the vapor-phase reaction with photochemically produced hydroxyl radicals with an estimated half-life of 3.3 hr(3,SRC). Aminoethyl ethanolamine is miscible with water(4), therefore, physical removal from air by wet deposition (dissolution in clouds, rainfall, etc) is possible(SRC).

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

Based upon an estimated log Kow of -1.39(1), the Koc for aminoethyl ethanolamine can be estimated to be 4.2 from applicable regression-derived equation(2,SRC). This estimated Koc value indicates that aminoethyl ethanolamin is very highly mobile in soil(3). Aminoethyl ethanolamine is miscible in water(4) which also indicates high soil mobility(SRC). However, aminoethyl ethanolamine has a pKa of 7.21(5) that indicates it can exist in both the protonated and neutral forms in environmental media; the Koc estimate above applies to neutral aminoethyl ethanolamine, but not to protonated aminoethyl ethanolamine(SRC). The mobility of protonated aminoethyl ethanolamine in soil can not be predicted without additional experimental data(SRC).

Human Toxicity Excerpts · 1건

Soldering flux used in the electronics industry can cause both irritant and allergic contact dermatitis. Irritant dermatitis is more common than allergic contact dermatitis. Aminoethylethanolamine, a constituent of some fluxes, is a sensitizer. Dermatitis tends to start over the periungal area and spread to the finger shafts and sometimes the wrists. The use of cotton gloves by workers appeared to aggravate the problem.

Artificial Pollution SourcesSmall amounts of aminoethyl ethanolamine may be present in wastewater streams generated at sites of industrial manufacture and use as chemical intermediate(1,SRC).
Environmental BiodegradationAminoethyl ethanolamine was found to be easily biodegraded (greater than 30% theoretical BOD in two weeks of incubation) using the Japanese MITI protocol(1).
Environmental Bioconcentration · 1건

Based upon an estimated log Kow of -1.39(1), the BCF for aminoethyl ethanolamine can be estimated to be 0.05 from a recommended regression-derived equation(2,SRC). This estimated BCF value indicates that bioconcentration in aquatic organisms is not important. Aminoethyl ethanolamine is miscible in water(3) which also indicates that bioconcentration is not important(SRC).

Volatilization from Water/Soil · 1건

The Henry's Law constant for aminoethyl ethanolamine can be estimated to be 1.10X10-13 atm-cu m/mole using a structure estimation method(1,SRC). This value of Henry's Law constant indicates that aminoethyl ethanolamine is essential non-volatile from water(2); therefore, volatilization from water will not be important(SRC).

Non-Human Toxicity Excerpts... Tested by application of a drop to a rabbit's eye caused injury similar to that caused by acetone.
Environmental Abiotic Degradation · 1건

The rate constant for the vapor-phase reaction of aminoethyl ethanolamine with photochemically produced hydroxyl radicals has been estimated to be 1.16X10-10 cu cm/molecule-sec at 25 °C which corresponds to an atmospheric half-life of about 3.3 hrs at an atmospheric concn of 5X10+5 hydroxyl radicals per cu cm(1,SRC).

Probable Routes of Human Exposure · 2건

Occupational exposure to aminoethyl ethanolamine occurs through dermal contact(1).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 7,385 workers are potentially exposed to aminoethyl ethanolamine in the USA(1). NIOSH (NOHS Survey 1972-1974) has statistically estimated that 1,558 workers are potentially exposed to aminoethyl ethanolamine in the USA(2).

Environmental Fate/Exposure Summary · 1건

If released to the atmosphere, aminoethyl ethanolamine will exist primarily in the vapor-phase where it will degrade rapidly by reaction with photochemically produced hydroxyl radicals (estimated half-life of 3.3 hours). Physical removal from the atmosphere may be possible through wet deposition. If released to soil or water, aminoethyl ethanolamine will probably biodegrade. The results of one biodegradation screening study have indicated that aminoethyl ethanolamine biodegrades readily. Aminoethyl ethanolamine can exist in both the neutral and protonated forms in environmental media; the neutral form may leach readily; the mobility of the protonated form is not known. Occupational exposure occurs through skin contact. (SRC)

규제 정보

Atmospheric Standards · 1건

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Aminoethylethanolamine is produced, as an intermediate or a final product, by process units covered under this subpart.

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
KJ6300000
ridadr
UN 2735 8/PG 2
독성
LD50 orally in Rabbit: 3000 mg/kg LD50 dermal Rabbit > 2000 mg/kg
HS 번호
29221980
risk_code
34-43-61-62
hazard_code
C,T
safety_code
26-36/37/39-45-53-28A
포장분류
II
위험 등급
8
기존화학 물질
KE-01366
자연 발화 온도
345 °C
Hazard Classifications
Eye Dam. 1Repr. 1BSkin Corr. 1BSkin Sens. 1STOT SE 3
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
유해 물질 데이터
111-41-1(Hazardous Substances Data)

상·하류 제품 정보

상류 원료

에틸렌디아민

하류 제품

castor oil type amphoteric surfactant JHZ-103cocoyl coarboxy methyl imidazoline acetat XCG-CA-2 typelauroamphopropyl sulfonateSilk softener Llaurylamide propionate JHZ-101엔,엔-디메틸피페라진1,4-Diethylpiperazine피페라진 디하이드로클로라이드1-(2-Hydroxyethyl)-2-imidazolidinone1-(2-아미노에틸)이미다졸리딘-2-온2-((2-(디메틸아미노)에틸)메틸아미노)에탄올2,2,2-Trifluoro-N-(2-(2-hydroxyethylamino)ethyl)acetamidetert-Butyl (2-((tert-butoxycarbonyl)amino)ethyl)(2-hydroxyethyl)carbamate