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테트라키스(2-히드록시프로필)에틸렌디아민

Edetol

HCID 7615
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인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
102-60-3
표준 SMILES
CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O
InChIKey
NSOXQYCFHDMMGV-UHFFFAOYSA-N
분자식
C14H32N2O4
평균 분자량
292.41 g/mol
단동위원소 질량
292.23620751

개요

Tetrakis(2-hydroxypropyl)ethylenediamine is an amino alcohol.

이름 및 식별자

우선 이름
Edetol
IUPAC
1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
현지명
테트라키스(2-히드록시프로필)에틸렌디아민
영어명
N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine
분자식
C14H32N2O4
분자량
292.41

이름 및 동의어

102-60-3EdetolN,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamineNeutrol TEAdeka QuadrolQuadrol L1,1',1'',1'''-(Ethylenedinitrilo)tetra-2-propanol2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-Edetolum [Latin]EdetolumEdetol [USAN:INN]NSC 369219
이름 더 보기
테트라키스(2-하이드록시프로필)에틸렌디아민테트라키스(2-히드록시프로필)에틸렌디아민콰드롤테트라하이드록시프로필에틸렌다이아민EDTPQ75QUADROLTETRAHYDROXYPROPYL ETHYLENEDIAMINE(ETHYLENEDINITRILO)TETRA-2-PROPANOLentprolquadrollQuadrol(R)
TETRAKIS(2-HYDROXYPROPYL)ETHYLENEDIAMINEHSDB 5349EINECS 203-041-4Ethylenediamine-N,N,N',N'-tetra-2-propanolUNII-Q4R969U9FRNSC-369219Edetol (USAN)BRN 1781143

데이터베이스 식별자

CAS
102-60-3
PubChem CID
7615
DTXSID
DTXSID9026689
ChEMBL
CHEMBL1573178
ChEBI
CHEBI:193592
UNII
Q4R969U9FR
EC Number
203-041-4
Nikkaji
J5.514J

물성

구조 계산 물성

XLogP
-0.7
극성 표면적
87.4 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
6
회전 가능 결합 수
11
무거운 원자 수
20
형식 전하
0
복잡도
199

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
Cosmetics · 2건

Chelating

Personal care product

SpringerMaterials PropertiesViscosity
FragrancesFragrance Ingredient (2-Propanol, 1,1',1',1'-(1,2-ethanediyldinitrilo)tetrakis-) -> IFRA transparency List
Density1.03 @25 °C
Color/Form · 2건

VISCOUS LIQUID

WATER-WHITE LIQUID

SolubilityMISCIBLE WITH WATER; SOL IN METHANOL, ETHANOL, TOLUENE, ETHYLENE GLYCOL, PERCHLOROETHYLENE
Boiling Point · 2건

190 °C @ 1.0 MM HG

190 °C @760 [mm Hg]

Vapor Pressure0.00000001 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description

안전 및 규제

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

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 15.1% (88 of 582) of reports.

Warning

H315 (10.1%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 582 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-

2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis- 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: 1,1',1'',1'''-ethylenedinitrilotetrapropan-2-ol (EC: 203-041-4)

2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

Emergency treatment: Symptomatic drug ingestion; [HSDB] Failure to gain weight is the only adverse effect noted in 3-month feeding study of rats at highest dose tested (approximately 3300 mg/kg); No evidence of mutagenicity, teratogenicity, or developmental/reproductive toxicity; [EPA HPVIS] An irritant; May be harmful if swallowed; May cause allergic skin reaction; [Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (10.1%)

안전 및 보호

화학 및 산업

용도 및 제조

Uses · 5건

Used as a catalyst in manufacturing urethane foams, epoxy resin curing agent, complexing agent, humectant, plasticizer, chelate, surfactant solubilizer, viscosity modifier, and intermediate; Also used as an anti-bloating agent for cattle; [HSDB] Used in piezoelectric crystal detectors; [REPROTOX]

A CROSS-LINKING AGENT & CATALYST IN THE MFR OF URETHANE FOAMS; IN EPOXY RESIN CURING; AS COMPLEXING AGENT; AS HUMECTANT, PLASTICIZER

AS INTERMEDIATE

SURFACTANT SOLUBILIZER; VISCOSITY CONTROL; CHELATION

MEDICATION (VET): ANTIBLOAT AGENT IN CATTLE

U.S. Production2023: 4,000,000 - <5,500,000 lb
Consumer UsesPlasticizer
Industry UsesChelating agent
Methods of ManufacturingBY THE ACTION OF PROPYLENE OXIDE ON ETHYLENEDIAMINE. US PATENT NUMBER 2,697,118 (1954 TO WYANDOTTE).
Household ProductsInformation on 4 consumer products that contain Tetrahydroxypropyl ethylenediamine in the following categories is provided:
Use Classification · 2건

Fragrance Ingredients

Cosmetics -> Chelating

General Manufacturing Information · 5건

Transportation Equipment Manufacturing

2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-: ACTIVE

QUADROL MONOLAURATE SHOWED BLOAT INHIBITING ACTIVITY BUT DID NOT COMPLETELY PREVENT FROTH DEVELOPMENT.

FORMULATIONS CONTAINING QUADROL &/OR ITS SALTS ARE GIVEN FOR A CUTICLE REMOVER, SUNSCREEN, HAIR DRESSING, SHAVING CREAM, SKIN CLEANSER & CREAMS, & SEVERAL TYPES OF SHAMPOOS.

A STABLE AEROSOL SPRAY CONTAINS N,N,N',N'-TETRAKIS(2-HYDROXYPROPYLETHYLENEDIAMINE.

응용 분야

관련 반응

3건
반응 기록 만들기
HRID 126965 반응식
HRID 126965반응물로uspto-grants-1981_03
HRID 888734 반응식
HRID 888734반응물로uspto-grants-2012_08
HRID 1666039 반응식
HRID 1666039반응물로uspto-grants-2011_10

화합물 노트

불러오는 중…

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· 2건

Liquid; Other Solid; Liquid

Colorless liquid; [HSDB] Colorless viscous liquid; [MSDSonline]

Collision Cross Section166.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID9026689]

물리화학적 성질

녹는점
32 °C · 32°C
끓는 점
240 °C/13 · 240 °C/13 hPa
밀도
1.03 g/cm · 1.03 g/cm 3 at 20 °C
증기압
1 mm · 1 mm Hg ( 20 °C)
굴절률
1.48 · 1.48
인화점
211 °C · 211 °C
저장 조건
30 °C · Store below +30°C.
용해도
83.3 mg/mL · DMSO : ≥ 83.3 mg/mL (284.87 mM)
물리적 상태
clear liquid
산도 계수 (pKa)
14.23 · 14.23±0.20(Predicted)
색상
Colorless to Almost colorless
Specific Gravity
1.013 · 1.013
수소이온지수(pH)
10.4 · 10.4 (10g/l, H2O, 20℃)
수용성
혼용 가능
Merck
14 · 14,3599
BRN
1781143 · 1781143
화장품 원료 기능
킬레이팅
InChI
1S/C14H32N2O4/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20/h11-14,17-20H,5-10H2,1-4H3
InChIKey
NSOXQYCFHDMMGV-UHFFFAOYSA-N
SMILES
CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O
LogP
-2.08 at · -2.08 at 25℃
EPA
N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine (102-60-3)
화학적 성질 · 1건

A clear colorless to pale yellow viscous liquid. N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine(Tetrahydroxypropyl ethylenediamine) is a chelating agent that binds with metal ions or metallic compounds, preventing them from adhering to a surface (such as skin, hair, or clothing) or causing contamination, such as in the case of trace amounts of iron.

Storage Conditions
STORAGE: STORE IN CLOSED CONTAINER TO AVOID MOISTURE PICK UP FROM AIR.
Protective Action Criteria (PAC) · 3건

8.7 [mg/m3]

95 [mg/m3]

570 [mg/m3]

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
UB5604000
HS 번호
29221980
risk_code
43-36
hazard_code
Xi
safety_code
36/37-37-24-26
기존화학 물질
KE-13209
Hazard Classifications
Eye Irrit. 2
스토리지 클래스
10 - Combustible liquids
유해 물질 데이터
102-60-3(Hazardous Substances Data)
· 2건

개요N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine (also known as Quadrol) is a monomer based on ethylenediamine used in the production of polyurethane coatings, adhesives, cosmetics and personal care products. It acts as a chelating agent due to the presence of four hydroxyl groups and as a cross-linking agent due to its two amino groups. It is widely used as a component of polymers and copolymers, especially those designed for UV crosslinked polyurethane polymers, dendritic aminopolymers, conductive polymers, inks and coatings. In addition, Quadrol is also used to produce resins, as well as in the manufacture of surfactants, plasticisers and other chemical products.

용도N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine can be used as cross-linking agent and catalyst in the manufacture of urethan foams; in epoxy resin curing; as complexing agent, humectant, emulsifier, plasticizer.

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