基本情報
- 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
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(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
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
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]
Physical Description
Liquid; Other Solid; Liquid
Colorless liquid; [HSDB] Colorless viscous liquid; [MSDSonline]
Collision Cross Section
166.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID9026689]；168.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9026689]；168.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9026689]；166.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9026689]
物理化学的性質
- 融点
- 32 °C · 32°C
- 沸点
- 175 · 175-181 °C0.8 mm Hg(lit.)
- 比重(密度)
- 1.03 g/mL · 1.03 g/mL at 20 °C(lit.)
- 蒸気圧
- 1 mm · 1 mm Hg ( 20 °C)
- 屈折率
- 20 · n20/D 1.4812(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 83.3 mg/mL · DMSO : ≥ 83.3 mg/mL (284.87 mM)
- 酸解離定数(Pka)
- 14.23 · 14.23±0.20(Predicted)
- 外見
- clear liquid
- 比重
- 1.013 · 1.013
- 色
- Colorless to Almost colorless
- PH
- 10.4 · 10.4 (10g/l, H2O, 20℃)
- 水溶解度
- 混和性
- Merck
- 14 · 14,3599
- BRN
- 1781143 · 1781143
- 化粧品成分の機能
- キレート化
- 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℃
- CAS データベース
- 102 · 102-60-3(CAS DataBase Reference)
- EPAの化学物質情報
- N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine (102-60-3)
化学的性質
化学的特性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.
安全と法規制
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]；H319 (75.6%): Causes serious eye irritation [Warning Serious eye damage/eye 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.；Reported as not meeting GHS hazard criteria per 88 of 582 reports by companies.；There are 9 notifications provided by 494 of 582 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
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)
Status: Active Update: 12-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5253
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%)；Eye Irrit. 2 (75.6%)
安全と保護具
Storage ConditionsSTORAGE: STORE IN CLOSED CONTAINER TO AVOID MOISTURE PICK UP FROM AIR.
Protective Action Criteria (PAC)
8.7 [mg/m3]
95 [mg/m3]
570 [mg/m3]
法規制情報
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)
Status: Active Update: 12-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5253
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
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UB5604000
- hs_code
- 29221980
- risk_code
- 43-36
- 化審法
- (2)-2410
- 消防法
- 危-4-4-III
- hazard_code
- Xi
- safety_code
- 36/37-37-24-26
- Hazard Classifications
- Eye Irrit. 2
- ストレージクラス
- 10 - Combustible liquids
- 有毒物質データの
- 102-60-3(Hazardous Substances Data)
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；2022: 5,500,000 - <7,000,000 lb；2021: 4,000,000 - <5,500,000 lb；2020: 4,000,000 - <5,500,000 lb
Consumer UsesPlasticizer；Not Known or Reasonably Ascertainable；Other
Industry UsesChelating agent；Etching agent；Not Known or Reasonably Ascertainable；Plasticizer；pH regulating agent；Plating agent；Monomers；Other；Solvent
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:；• Inside the Home；• Personal Care
Use Classification
Fragrance Ingredients
Cosmetics -> Chelating
General Manufacturing Information
Transportation Equipment Manufacturing；Soap, Cleaning Compound, and Toilet Preparation Manufacturing；Electrical Equipment, Appliance, and Component Manufacturing；All Other Chemical Product and Preparation Manufacturing；Paint and Coating Manufacturing；Plastics Material and Resin 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
説明N,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.
使用N,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.
上流・下流製品情報
上流原料
サプライヤー50 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
武汉格罗丽材料有限公司27-27-59263629 18607197940
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
武汉科美沃化工有限公司+86-2785736489 +8618171418573 · [email protected]
武汉博莱特化工有限公司+86-027-85583407 +86-13554014698 · [email protected]
湖北华璟新材料有限公司18086063519 13697329155
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉松石科技股份有限公司27-85615902 15827493093
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Wuhan EnTai Technology Development Co,.Ltd86-27-82330560 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北和昌新材料科技股份有限公司13296505482
Cangzhou Wanyou New Material Technology Co.,Ltd18631714998 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
武汉吉和昌新材料股份有限公司18602737196 18602737196
上海隆盛化工有限公司58099637 13585536065 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
苏州吉之美新材料有限公司0512-6599 1069 15382515953 · [email protected]
武汉赛沃尔化工有限公司027-85613400 18707177243 · [email protected]
唐山默内德贸易有限公司0315-8309571 15633399667 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
武汉科美沃化工有限公司027-85736489 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Shenzhen Vtolo Chemicals Co., Ltd.13534282526 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
武汉吉和昌国际贸易有限公司13971123046 18672350362
補足説明
定義本品は、次の化学式で表されるジアミンの誘導体である。
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