Diethylenetriaminepentaacetic acid CAS 67-43-6
Introduction：Basic information about Diethylenetriaminepentaacetic acid CAS 67-43-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Diethylenetriaminepentaacetic acid Basic information
| Product Name: | Diethylenetriaminepentaacetic acid |
| Synonyms: | DIETHYLENETRIAMINEPENTACETIC ACID;(DIETHYLENETRINITRILO)PENTAACETIC ACID;DIETHYLENETRIAMINE-N,N,N',N'',N''-PENTAACETIC ACID;COMPLEXONE V(R);(CARBOXYMETHYLIMINO)BIS(ETHYLENEDINITRILO)TETRAACETIC ACID;(CARBOXYMETHYLIMINO)BIS(ETHYLENENITRILO)TETRAACETIC ACID;HAMPEX ACID;IDRANAL(R) V |
| CAS: | 67-43-6 |
| MF: | C14H23N3O10 |
| MW: | 393.35 |
| EINECS: | 200-652-8 |
| Product Categories: | Analytical Chemistry;Chelating Reagents;Complexones;EDTA Analogs;Ligands for Pharmaceutical Research;Radiopharmaceutical Chemistry (Chelating Reagents);organic amine;bc0001 |
| Mol File: | 67-43-6.mol |
Diethylenetriaminepentaacetic acid Chemical Properties
| Melting point | 219-220 °C (lit.) |
| Boiling point | 517.84°C (rough estimate) |
| density | 1.56 |
| bulk density | 580kg/m3 |
| refractive index | 1.5700 (estimate) |
| Fp | 200 °C |
| storage temp. | room temp |
| solubility | 0.1 M NaOH: 0.1 M at 20 °C, clear, colorless |
| pka | pK1:;pK2:2.55(+1);pK3:4.33(+2);pK4:8.60(-3);pK5,10.58 (25°C) |
| form | Crystalline Powder |
| color | White to almost white |
| PH | 2-3 (H2O, 20℃)(saturated solution) |
| biological source | synthetic (organic) |
| Water Solubility | 5 g/L (20 ºC) |
| Merck | 14,7125 |
| BRN | 1810219 |
| Stability: | Stable. Incompatible with strong oxidizing agents. |
| Cosmetics Ingredients Functions | CHELATING |
| InChI | 1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27) |
| InChIKey | QPCDCPDFJACHGM-UHFFFAOYSA-N |
| SMILES | OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O |
| LogP | -1.361 (est) |
| CAS DataBase Reference | 67-43-6(CAS DataBase Reference) |
| NIST Chemistry Reference | N,N-Bis(2-(bis-(carboxymethyl)amino)ethyl)-glycine(67-43-6) |
| EPA Substance Registry System | Pentetic acid (67-43-6) |
Safety Information
| Hazard Codes | Xi,N,Xn |
| Risk Statements | 36-51/53-36/37/38-20-63 |
| Safety Statements | 26-36-61-37/39-36/37 |
| RIDADR | UN 3077 9/PG 3 |
| WGK Germany | 2 |
| RTECS | MB8205000 |
| F | 3 |
| TSCA | TSCA listed |
| HazardClass | 9 |
| PackingGroup | III |
| HS Code | 29224995 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 4 Inhalation Eye Irrit. 2 Repr. 1B STOT RE 2 Inhalation |
| Toxicity | LD50 orally in Rabbit: > 2000 mg/kg |
| Chemical Properties | Pentetic acid occurs as a white crystalline solid and is almostodorless. |
| Chemical Properties | Diethylenetriaminepentaacetic acid is a solid. |
| Uses | Diethylenetriaminepentaacetic acid is used as chelating agent and forms complexes with metal ions. It finds application as a magnetic resonance imaging (MRI) contrasting agent, since it improves the image by forming a complex with a gadolinium ion. It can also be used for treatment of radioactive materials such as plutonium, americium and other actinides. It is an active component of manganese and zinc fertilizers used in agrochemical industry. It acts as a color inhibitor and is used in the production of acrylon. It is also used in soaps as a water softener. |
| Uses | Diethylenetriaminepentaacetic Acid is a component of manganese and zinc fertilizers. |
| Uses | chelating agent, diagnostic aid |
| Production Methods | Pentetic acid is a pentaacetic acid triamine formed during thepreparation of the amino carboxylic acid and its salt. |
| Definition | ChEBI: Pentetic acid is a pentacarboxylic acid. It has a role as a copper chelator. It is a conjugate acid of a pentetate(1-). |
| General Description | Visit our Titration Center to learn more. |
| reaction suitability | reaction type: Complexometric reactions |
| Pharmaceutical Applications | Pentetic acid is mainly used as a chelating agent in the preparationof imaging and contrast agents for radionuclide and magneticresonance imaging.It is also used as a carrier excipient forneutron-capture isotopes in, for example, radiotherapy.Penteticacid–isotope complexes have also been considered as model activesubstances in scintigraphic imaging studies.Pentetic acid has beenused to chelate metal ions to reduce formation of reactive oxygenspecies during lyophilization. |
| Safety Profile | Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx. |
| Safety | Pentetic acid is used in intrathecal and intravenous injectionpreparations. The pure form of pentetic acid is moderately toxicby the intraperitoneal route. LD50 (mouse, IP): 0.54 g/kg LD50 (mouse, oral): 4.84 g/kg |
| storage | The activity of pentetic acid as a chelating agent may causeunwanted effects in formulations containing metal ions. The desiredchelate may be displaced by other ions from the formulation. |
| Purification Methods | Crystallise DTPA from water. Dry under vacuum or at 110o. [Bielski & Thomas J Am Chem Soc 109 7761 1987, NMR: Wenzel et al. Anal Chem 54 615 1982, Beilstein 4 IV 2454.] |
| Incompatibilities | The activity of pentetic acid as a chelating agent may causeunwanted effects in formulations containing metal ions. The desiredchelate may be displaced by other ions from the formulation. |
| Regulatory Status | Included in the FDA Inactive Ingredients Database (intrathecal andintravenous injections). Included in intravenous and intra-articularinjections licensed in the UK. |
Diethylenetriaminepentaacetic acid Preparation Products And Raw materials
| Raw materials | Hydrochloric acid-->Formaldehyde-->Sodium cyanide-->Diethylenetriamine |
| Preparation Products | DIETHYLENETRIAMINEPENTAACETIC DIANHYDRIDE-->Diethylenetriaminepenta(methylene-phosphonic acid) |
