Grundinformationen
- Standard-SMILES
CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O- InChIKey
NSOXQYCFHDMMGV-UHFFFAOYSA-N- Summenformel
- C14H32N2O4
- Durchschnittliche Molmasse
- 292,41 g/mol
- Monoisotopische Masse
- 292,23620751
Namen und Bezeichner
- Bevorzugter Name
- Edetol
- IUPAC
- 1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
- Lokaler Name
- 1,1',1'',1'''-Ethylendinitrilotetrapropan-2-ol
- Englischer Name
- N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine
- Summenformel
- C14H32N2O4
- Molmasse
- 292.41
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
102-60-3- PubChem CID
- 7615
- DTXSID
DTXSID9026689- ChEMBL
CHEMBL1573178- ChEBI
CHEBI:193592- UNII
- Q4R969U9FR
- EC Number
- 203-041-4
- Nikkaji
- J5.514J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,7
- Polarare Oberfläche (TPSA)
- 87,4 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 199
Experimentelle und physikochemische Eigenschaften
Color/Form
VISCOUS LIQUID
WATER-WHITE LIQUID
Boiling Point
190 °C @ 1.0 MM HG
190 °C @760 [mm Hg]
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]
Physikochemische Eigenschaften
- Schmelzpunkt
- 32 °C · 32°C
- Siedepunkt
- 175 · 175-181 °C0.8 mm Hg(lit.)
- Dichte
- 1.03 g/mL · 1.03 g/mL at 20 °C(lit.)
- Dampfdruck
- 1 mm · 1 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.4812(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 83.3 mg/mL · DMSO : ≥ 83.3 mg/mL (284.87 mM)
- pka
- 14.23 · 14.23±0.20(Predicted)
- Aggregatzustand
- clear liquid
- Wichte
- 1.013 · 1.013
- Farbe
- Colorless to Almost colorless
- PH
- 10.4 · 10.4 (10g/l, H2O, 20℃)
- Wasserlöslichkeit
- miscible
- Merck
- 14 · 14,3599
- BRN
- 1781143 · 1781143
- Kosmetik-Inhaltsstoffe Funktionen
- CHELATING
- 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 Datenbank
- 102 · 102-60-3(CAS DataBase Reference)
- EPA chemische Informationen
- N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine (102-60-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
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]
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
8.7 [mg/m3]
95 [mg/m3]
570 [mg/m3]
Regulatorische Informationen
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
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29221980
- RTECS-Nr.
- UB5604000
- risk_code
- 43-36
- hazard_code
- Xi
- safety_code
- 36/37-37-24-26
- Speicherklasse
- 10 - Combustible liquids
- Giftige Stoffe Daten
- 102-60-3(Hazardous Substances Data)
- Hazard Classifications
- Eye Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
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
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.
Anwendungen
BeschreibungN,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.
VerwendenN,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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