エデトール
Edetol
基本情報
- CAS
102-60-3- 標準SMILES
CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O- InChIKey
NSOXQYCFHDMMGV-UHFFFAOYSA-N- 分子式
- C14H32N2O4
- 平均分子量
- 292.41 g/mol
- 単同位体質量
- 292.23620751
概要
Tetrakis(2-hydroxypropyl)ethylenediamine is an amino alcohol.
名称と識別子
- 優先名称
- Edetol
- IUPAC
- 1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
- 現地名
- エデトール
- 英語名
- N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine
- 分子式
- C14H32N2O4
- 分子量
- 292.41
名称と別名
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
名称をさらに表示
N,N,N',N'-テトラキス(2-ヒドロキシプロピル)エチレンジアミンカドロール緩衝液 pH9.0 (1mol/L)カドロール緩衝液 pH9.5 (0.25mol/L)エントプロール1,1',1'',1'''-(エチレンビスニトリロ)テトラキス(2-プロパノール)1,1',1'',1'''-(エチレンビスニトリロ)テトラキス(プロパン-2-オール)1,1',1'',1'''-(エチレンジニトリロ)テトラキス(2-プロパノール)1,1',1'',1'''-エチレンビスニトリロテトラキス(2-プロパノール)N,N,N',N'-テトラキス(2-ヒドロキシプロピル)-1,2-エタンジアミンクアドロールN,N,N',N'-テトラ(2-ヒドロキシプロピル)エチレンジアミンエチレンジアミン-N,N,N',N''-テトラ-2-プロパノール1,1',1'',1'''-(エチレンジニトリロ)テトラ(2-プロパノール)1,1',1'',1'''-(1,2-エタンジイルジニトリロ)テトラキス(2-プロパノール)N,N,N′,N′-テトラキス(2-ヒドロキシプロピル)エチレンジアミンＮ，Ｎ，Ｎ’，Ｎ’テトラキス（２ヒドロキシプロピル）エチレンジアミンエデトールテトラヒドロキシプロピルエチレンジアミン1,1',1'',1'''-(エチレンジニトリロ)テトラ-2-プロパノールエチレンジアミン-N,N,N',N'-テトラ-2-プロパノールEDTPQ75QUADROLTETRAHYDROXYPROPYL ETHYLENEDIAMINE
データベース識別子
- CAS
102-60-3- PubChem CID
- 7615
- DTXSID
DTXSID9026689- ChEMBL
CHEMBL1573178- ChEBI
CHEBI:193592- UNII
- Q4R969U9FR
- EC Number
- 203-041-4
- Nikkaji
- J5.514J
物性
構造計算による物性
- XLogP
- -0.7
- 極性表面積
- 87.4 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 6
- 回転可能結合数
- 11
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 199
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
Cosmetics
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
VISCOUS LIQUID
WATER-WHITE LIQUID
SolubilityMISCIBLE WITH WATER; SOL IN METHANOL, ETHANOL, TOLUENE, ETHYLENE GLYCOL, PERCHLOROETHYLENE
Boiling Point
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
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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.
危険有害性情報
Regulatory Information
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
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%)
安全と保護具
化学と産業
用途と製造
Uses
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
Fragrance Ingredients
Cosmetics -> Chelating
General Manufacturing Information
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.
応用分野
関連反応
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化合物ノート
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