테트라키스(2-히드록시프로필)에틸렌디아민
테트라키스(2-하이드록시프로필)에틸렌디아민 · 테트라키스(2-히드록시프로필)에틸렌디아민 · 콰드롤 · 테트라하이드록시프로필에틸렌다이아민 · EDTP · Q75 · QUADROL · TETRAHYDROXYPROPYL ETHYLENEDIAMINE
식별자 및 물리적 특성
| CAS No. | 102-60-3 |
|---|---|
| 분자식 | C14H32N2O4 |
| 평균 분자량 | 292.41 g/mol |
| 단동위원소 질량 | 292.23620751 g/mol |
| SMILES | CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O |
| InChIKey | NSOXQYCFHDMMGV-UHFFFAOYSA-N |
| PubChem CID | 7615 |
| ChEMBL | CHEMBL1573178 |
| ChEBI | CHEBI:193592 |
| EC No. | 203-041-4 |
| DTXSID | DTXSID9026689 |
| 현지명 | 테트라키스(2-히드록시프로필)에틸렌디아민 |
화학 및 물리적 성질
| XLogP | -0.7 |
|---|---|
| 극성 표면적 | 87.4 |
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 11 |
| 무거운 원자 수 | 20 |
| 형식 전하 | 0 |
| 복잡도 | 199 |
| 밀도 | 1.03 @25 °C1.03 g/mL at 20 °C(lit.) |
| Color/Form | VISCOUS LIQUIDWATER-WHITE LIQUID |
| 용해도 | MISCIBLE WITH WATERSOL IN METHANOL, ETHANOL, TOLUENE, ETHYLENE GLYCOL, PERCHLOROETHYLENEDMSO : ≥ 83.3 mg/mL (284.87 mM) |
| 끓는 점 | 190 °C @ 1.0 MM HG190 °C @760 [mm Hg]175-181 °C0.8 mm Hg(lit.) |
| 증기압 | 0.00000001 [mmHg]1 mm Hg ( 20 °C) |
| Physical Description | LiquidOther SolidColorless liquid[HSDB] Colorless viscous liquid[MSDSonline] |
| Collision Cross Section | 166.8 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID9026689]168.6 Ų [M-H]- [CCS Type: DTIonization: ESI-168.6 Ų [M+Na]+ [CCS Type: DTIonization: ESI+ |
| 녹는점 | 32°C |
| 굴절률 | n20/D 1.4812(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Store below +30°C. |
| pKa(산도 계수) | 14.23±0.20(Predicted) |
| 물리적 상태 | 투명한 액체 |
| 비중 | 1.013 |
| 색상 | 무색 내지 거의 무색 |
| pH | 10.4 (10g/l, H2O, 20℃) |
| 용해도 | 혼용 가능 |
| Merck | 14,3599 |
| BRN | 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(분배 계수) | -2.08 at 25℃ |
| EPA | N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine (102-60-3) |
화학적 성질
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.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 15.1% (88 of 582) of reports.WarningH315 (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. |
|---|---|
| 규제 정보 | 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/52532-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | 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 irritantMay be harmful if swallowedMay cause allergic skin reaction[Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (10.1%)Eye Irrit. 2 (75.6%) |
| 보관 조건 | STORAGE: 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] |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | UB5604000 |
| 관세 코드 | 29221980 |
| 위험 문구(R) | 43-36 |
| 위험 표시 | Xi |
| 안전 문구(S) | 36/37-37-24-26 |
| 기존화학 물질 | KE-13209 |
| 위험 등급 | Eye Irrit. 2 |
| 저장 분류 | 10 - Combustible liquids |
| 유해 물질 데이터 | 102-60-3(Hazardous Substances Data) |
용도
개요
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.
용도
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.