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  1. 홈
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히드록시에틸렌디아민트리아세트 산

Hydroxyethylethylenediaminetriacetic acid

HCID 8773
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
139-89-9
표준 SMILES
O=C(O)CN(CCO)CCN(CC(=O)O)CC(=O)O
InChIKey
URDCARMUOSMFFI-UHFFFAOYSA-N
분자식
C10H18N2O7
평균 분자량
278.26 g/mol
단동위원소 질량
278.11140092

개요

RN given refers to parent cpd

이름 및 식별자

우선 이름
Hydroxyethylethylenediaminetriacetic acid
IUPAC
2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid
현지명
히드록시에틸렌디아민트리아세트 산
영어명
N-(2-Hydroxyethyl)ethylenediaminetriacetic acid
분자식
C10H18N2O7
분자량
278.26

이름 및 동의어

N-(2-Hydroxyethyl)ethylenediaminetriacetic acidHEDTAHeedtaVersenolVersenol 120Hydroxyethylethylenediaminetriacetic acidCaswell No. 487B(2-Hydroxyethyl)ethylenediaminetriacetic acid2-Hydroxyethylenediamine triacetateN-(Hydroxyethyl)ethylenediaminetriacetic acidBRN 1804795HSDB 5651
이름 더 보기
하이드록시에틸에틸렌다이아민트라이아세트산하이드록시에틸렌디아민트리아세트산히드록시에틸렌디아민트리아세트산하이드록시에틸렌디아민트리아세트산에이치이디티에이N-(2-하이드록시에틸)에틸렌디아민트리아세트산HOEDTAdetarolEDTA-OHcheldmacidhamp-olacidHEDTA PowderHEDTA ,HEEDTA
EINECS 205-759-3Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-(N-Hydroxyethylethylenedinitrilo)triacetic acidEPA Pesticide Chemical Code 039108UNII-R79J91U341NSC-7341n-Hydroxyethylethylenediamine-n,n',n'-triacetic acidHydroxyethyl ethylenediamine triacetic acid

물성

구조 계산 물성

XLogP
-6.2
극성 표면적
139 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
9
회전 가능 결합 수
11
무거운 원자 수
19
형식 전하
0
복잡도
305

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Uses -> Chelating Agents

Other Uses -> Chelating Agents

Cosmetics · 2건

Cosmetic ingredients (HEDTA) -> CIR (Cosmetic Ingredient Review)

Chelating; Absorbent; Bulking; Viscosity controlling; Opacifying

pHpH of a 1 wt% solution = 11.2
Density · 2건

1.285

1.285 @25 °C

Color/FormSOLID
Solubility · 3건

Insoluble in most organic solvents

In water, 480 g/L at 20 °C

SOL IN WATER AND METHANOL

Flash PointFlash point: 100 °C (closed cup)
Melting Point · 3건

288 °C (hydate)

159 °C

288 °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

Physical Description

안전 및 규제

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

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.2% (2 of 938) of reports.

Danger

H302 (30.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 938 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory Information · 6건

Chemical: Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-

Chemical: Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-, trisodium salt

Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-, sodium salt (1:3) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-, sodium salt (1:3) 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)

Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)- 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: N-(2-hydroxyethyl)ethylenediaminetriacetic acid (EC: 205-759-3)

REACH registered substance: Trisodium 2-(carboxylatomethyl(2-hydroxyethyl)amino)ethyliminodi(acetate) (EC: 205-381-9)

Other Safety InformationIMAP assessments - Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-, trisodium salt: Human health tier I assessment
Hazards Summary

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationChemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.

용도 및 제조

Uses · 6건

CIR ingredient: HEDTA

Used as chelating agent and analytical reagent; [HSDB]

Used as chelating agent for trivalent iron (pH 7-10); Resulting complex chelates with other metals and alkaline earth ions; [Merck Index]

For trisodium (2-hydroxyethyl)ethylenediaminetriacetate (USEPA/OPP Pesticide Code: 039109) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./

... Hydroxyethyl Ethylenediamine Triacetic Acid (HEDTA) and its salt, Trisodium HEDTA, are substituted amines. These ingredients function as chelating agents in cosmetic formulations by combining with polyvalent metal cations in solution to form soluble ring structures.

The use of EDTA and its salts as stabilizing and chelating agents has been described as "ubiquitous". Originally, EDTA and the Edetates were developed to counteract the effects of hard water and heavy metal ions on dyestuffs used in textile manufacture. Currently, these ingredients are used in a wide number of applications. EDTA, HEDTA, and their salts maintain clarity, protect fragrance components, stabilize polymeric thickeners and color additives, prevent rancidity, and increase preservative effectiveness, among other effects.

U.S. Production · 5건

2023: 10,000,000 - <25,000,000 lb

2023: 500,000 - <1,000,000 lb

Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-, trisodium salt 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).[EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program. Glycine, N-[2-

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5467]

관련 반응

1건
반응 기록 만들기
HRID 2057793 반응식
HRID 2057793생성물로uspto-grants-1980_07

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
139-89-9、150-39-0
PubChem CID
8773
DTXSID
DTXSID1059737
ChEMBL
CHEMBL1620428
UNII
R79J91U341
EC Number
205-381-9、205-759-3
Nikkaji
J23.203C
· 4건

Liquid

Liquid

Solid; [Hawley] White odorless powder; [MSDSonline]

Odorless crystalline powder; [MSDSonline]

Other Experimental Properties · 3건

Stability Constants [Table#5466]

Forms strong 1:1 ferric chelates which will then chelate other heavy metal or alkaline earth ions

Perma Kleer 120: Liquid form, 41% min. solids, with flash point >200 °F.

물리화학적 성질

녹는점
212 °C · 212 °C (dec.)(lit.)
끓는 점
421.08 °C · 421.08°C (rough estimate)
밀도
1.33 · 1.3300 (rough estimate)
증기압
0.01 Pa · 0.01Pa at 20℃
굴절률
1.455 · 1.4550 (estimate)
저장 조건
Inert atmosphere,Room Temperature
용해도
3 M · 3 M NaOH: 0.1&M, 투명, 무색
물리적 상태
powder to crystal
산도 계수 (pKa)
1 · pK1:2.39;pK2:5.37;pK3:9.93 (25°C)
색상
흰색에서 거의 흰색
수용성
녹는
BRN
1804795 · 1804795
화장품 원료 기능
필러킬레이팅흡착제불투명화점도 조절
InChI
1S/C10H18N2O7/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)
InChIKey
URDCARMUOSMFFI-UHFFFAOYSA-N
SMILES
OCCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
LogP
-4.65 at · -4.65 at 20℃
EPA
(2-Hydroxyethyl)ethylenediaminetriacetic acid (150-39-0)

화학적 성질

Crystalline

· 2건

Causes convulsions and other liver changes in intraperitoneal lethal-dose studies of rats; [RTECS] An irritant; Effects in high-dose animal studies include convulsions; [MSDSonline]

Emergency treatment: Irritants; [HSDB] An irritant; [MSDSonline]

FDA RequirementsTrisodium N-hydroxyethylethylenediaminetriacetate is an indirect food additive for use only as a component of adhesives.
FIFRA Requirements · 1건

As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their continued use. Under this pesticide reregistration program, EPA examines newer health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether the use of the pesticide does not pose unreasonable risk in accordance to newer saftey standards, such as those described in the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA '88 were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern than those on List C, and with List C containing pesticides of greater concern than those on List D. Trisodium (2-hydroxyethyl)ethylenediaminetriacetate is found on List D. Case No: 4037; Pesticide type: fungicide, herbicide, antimicrobial; Case Status: None of the active ingredients in the case are being supported for reregistration by their registrants. All are unsupported, or some are unsupported and some are cancelled. Cases described as "unsupported" generally are being processed for cancellation.; Active ingredient (AI): trisodium (2-hydroxyethyl)ethylenediaminetriacetate; AI Status: Registrants of the pesticide have not made or honored a commitment to seek reregistration, conduct the necessary studies, or pay the requisite fees, or they have asked EPA to cancel their product registrations. Unless some other interested party supports them, products containing the pesticide will be cancelled.

Hazard Classes and Categories · 2건

Acute Tox. 4 (30.3%)

Acute Tox. 4 (38.6%)

Hazardous Reactivities and Incompatibilities · 3건

/Incompatible with/ oxidizing agents.

Reacts with aluminum, with evolution of hydrogen.

The affinity of HEDTA for divalent metal ions is similar to that of EDTA in the acid pH range, but metal chelates of HEDTA are much more susceptible to metal hydrolysis and other interferences in the alkaline pH range. /HEDTA/

안전 및 보호

Fire Fighting ProceduresSuitable extinguishing media: water, dry extinguishing media, carbon dioxide, foam.
Storage ConditionsStore at ambient temperature. Keep container tightly closed.
Cleanup MethodsFor small amounts: Pick up with inert absorbent material (if possible). Dispose of absorbed material in accordance with regulations. For large amounts: Pump off product. Dike spillage.
Disposal Methods · 1건

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity 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 and plant life; and conformance with environmental and public health regulations.

Preventive Measures · 2건

SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits 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.

SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants. Ensure that the local ventilation moves the contaminant away from the worker.

Protective Action Criteria (PAC) · 6건

2.0 [mg/m3]

22 [mg/m3]

130 [mg/m3]

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Personal Protective Equipment (PPE)Wear NIOSH-certified chemical goggles. ... Respiratory protection: Wear respiratory protection if ventilation is inadequate. Hand protection: Chemical resistant protective gloves, Suitable materials, rubber, plastic.

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Environmental Abiotic Degradation · 1건

THE GROWTH OF WASTE VOL IN COMPLEXANT LADEN HANFORD WASTE SLURRY WAS DUE TO GAS GENERATION CAUSED BY THE OXIDATIVE DEGRADATION OF THE COMPLEXANT HEDTA. THE DEGRADATION PROCEEDS ACCORDING TO 1ST ORDER KINETICS & REQUIRES NITRATE AND/OR NITRITE TO PROCEED.

Probable Routes of Human Exposure · 1건

NIOSH (NOES Survey 1981-1983) has statistically estimated that 148,871 workers (72,162 of these were female) were potentially exposed to trisodium N-hydroxyethylethylenediaminetriacetate in the US(1). Occupational exposure to ethylenediamine tetraacetic acid may occur through dermal contact with this compound at workplaces where ethylenediamine tetraacetic acid is produced or used(SRC).

Antidote and Emergency Treatment · 3건

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/

/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/

Non-Human Toxicity ValuesLD50 Rat oral 10,000 mg/kg

규제 정보

FDA RequirementsTrisodium N-hydroxyethylethylenediaminetriacetate is an indirect food additive for use only as a component of adhesives.
FIFRA Requirements · 1건

As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their continued use. Under this pesticide reregistration program, EPA examines newer health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether the use of the pesticide does not pose unreasonable risk in accordance to newer saftey standards, such as those described in the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA '88 were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern than those on List C, and with List C containing pesticides of greater concern than those on List D. Trisodium (2-hydroxyethyl)ethylenediaminetriacetate is found on List D. Case No: 4037; Pesticide type: fungicide, herbicide, antimicrobial; Case Status: None of the active ingredients in the case are being supported for reregistration by their registrants. All are unsupported, or some are unsupported and some are cancelled. Cases described as "unsupported" generally are being processed for cancellation.; Active ingredient (AI): trisodium (2-hydroxyethyl)ethylenediaminetriacetate; AI Status: Registrants of the pesticide have not made or honored a commitment to seek reregistration, conduct the necessary studies, or pay the requisite fees, or they have asked EPA to cancel their product registrations. Unless some other interested party supports them, products containing the pesticide will be cancelled.

안전 데이터

wgk
-
tsca
TSCA listed
rtecs
MB9185000
HS 번호
29224999
risk_code
36/37/38-22-40-20/21/22
hazard_code
Xi,Xn
safety_code
26-37/39-36-22
기존화학 물질
KE-20513
Hazard Classifications
Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
150-39-0(Hazardous Substances Data)

Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-, sodium salt. Aggregated National Production Volume: 10 to < 50 million pounds.[US EPA; Non-Confidential 2006 Inventory Update Reporting. National Chemical Information. Glycine, N-[2-

Consumer Uses · 2건

Ion exchange agent

Ion exchange agent

Industry Uses · 2건

Chelating agent

Ion exchange agent

Methods of ManufacturingYoung, US patent 2811550 (1957 to Refined Prod); Kroll, Dexter, US patent 2845457 (1958 to Geigy).
Formulations/Preparations · 2건

Versenol 120 (Dow). Trademark name for the trisodium salt of N-hydroxyetheyethylenediaminetriacetic acid.

Trilon D Liquid: 30.0 - 60.0 % Trisodium HEDTA; 1.0 - 5.0 % Sodium Hydroxide; 1.0 - 5.0 % trisodium nitrilotriacetate

Household ProductsInformation on 10 consumer products that contain Trisodium HEDTA in the following categories is provided:
Use ClassificationCosmetics -> Chelating; Absorbent; Bulking; Viscosity controlling; Opacifying
General Manufacturing Information · 6건

Oil and Gas Drilling, Extraction, and Support activities

All Other Basic Organic Chemical Manufacturing

Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-, sodium salt (1:3): ACTIVE

Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-: ACTIVE

Sour water is stripped with air in a tower to remove hydrogen sulfide, the evolved gas is scrubbed with an aqueous chelated Fe3+ solution in an upper portion of the tower to absorb the H2S and oxidize it to sulfur, and the treated gas is discharged from the top of the tower. A suitable solution for scrubbing consists of water 2400, 39% FeCl3 577, Na4EDTA 272, trisodium-n(2-hydroxyethyl)ethylenediaminetriacetate 272, 70% sorbitol 272, 50% NaOH 153, and Na2CO3 350 g.

AN AQ SOLN CONTAINING HEDTA WAS USED TO TREAT WASTE GASES FROM A XANTHATE PROCESS. THE HYDROGEN SULFIDE REMOVAL EFFICIENCY WAS 80-95%.

응용 분야

용도N-(2-Hydroxyethyl)ethylenediaminetriacetic acid is a chelating agent.

공급사100 곳

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