Basic information
- CAS
15827-60-8- Standard SMILES
O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O- InChIKey
DUYCTCQXNHFCSJ-UHFFFAOYSA-N- Molecular formula
- C9H28N3O15P5
- Average molar mass
- 573.2 g/mol
- Monoisotopic mass
- 573.02085218
Overview
RN given refers to parent cpd; used with 113mIn for bone scanning
Names & identifiers
- Preferred name
- Diethylenetriaminepenta(methylenephosphonic acid)
- IUPAC
- [bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
- English name
- Diethylenetriaminepenta(methylene-phosphonic acid)
- Molecular formula
- C9H28N3O15P5
- Molecular weight
- 573.2
Names & synonyms
Show more names
Database identifiers
- CAS
15827-60-8- PubChem CID
- 85128
- DTXSID
DTXSID0027775- UNII
- 0Q75589TM3
- EC Number
- 239-931-4
- Nikkaji
- J219.842H
Properties
Computed structural properties
- XLogP
- -15.1
- Topological polar surface area
- 297 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 16
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 720
Experimental & physicochemical properties
Physical Description
Liquid; Dry Powder
Solid; [ECHA REACH Registrations] 49-51% Aqueous solution: Clear amber to pale yellow liquid; [Redox Chemicals MSDS]
Physicochemical properties
- Boiling point
- 1003.3 · 1003.3±75.0 °C(Predicted)
- Density
- 1.35 · 1.35 (50% aq.)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Aqueous Base (Sparingly), Water
- form
- Oil
- pka
- 0.59 · 0.59±0.10(Predicted)
- color
- Pale Yellow to Brown
- Water Solubility
- 500 g/L · 500g/L at 25℃
- BRN
- 2068968 · 2068968
- Cosmetics Ingredients Functions
- CHELATING
- InChIKey
- DUYCTCQXNHFCSJ-UHFFFAOYSA-N
- SMILES
- P(=O)(O)(O)CN(CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
- LogP
- -3.4 · -3.4
- CAS DataBase Reference
- 15827 · 15827-60-8(CAS DataBase Reference)
- FDA UNII
- 0 Q75589TM3 · 0Q75589TM3
- EPA Substance Registry System
- 2 · Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis- (15827-60-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 290 · H290-H315-H318-H335
- Precautionary statements
- 234 · P234-P261-P264-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,C
- Risk Statements
- 36 · 36/37/38-51/53-41-37/38
- Safety Statements
- 26 · 26-36-33-28-23-16-9-39
- RIDADR
- 1789 · UN 1789 8/PG 2
- WGK Germany
- -
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Met · Eye Dam. 1Met. Corr. 1Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 5.1% (25 of 486) of reports.
Danger
H290 (39.1%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P332+P317, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 486 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-
Phosphonic acid, P,P',P'',P'''-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P,P',P'',P'''-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]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: [[(phosphonomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonic acid (EC: 239-931-4)
Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-: Does not have an individual approval but may be used under an appropriate group standard
Toxicology
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- -
- tsca
- TSCA listed
- ridadr
- UN 1789 8/PG 2
- risk_code
- 36/37/38-51/53-41-37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,C
- safety_code
- 26-36-33-28-23-16-9-39
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- target organs
- Respiratory system
- Hazard statements
- H290-H315-H318-H335
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1Met. Corr. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P234-P261-P264-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Uses
Used in the chemical, leather processing, paper-pulp-board, paints-lacquers-varnishes, textile processing, and detergents industries; Used in water treatment, as a scale inhibitor, cleaning/washing agent, dispersing agent, complexing agent, and bleach stabilizer; [IUCLID] Used to formulate polishes and wax blends, washing-cleaning products, water softeners, water treatment chemicals, air care products, biocidal products, coatings-paints, fillers-putties-plasters, fertilizers, inks-toners, processing aids (i.e. pH regulators, flocculants, and precipitants), laboratory chemicals, leather tanning-dying-finishing products, paper and board dying-impregnation-finishing products, textile dying-impregnation-finishing products, cosmetics-personal care products, perfumes-fragrances, photo-chemicals, extraction agents, metal surface treatment products (including those for galvanizing and electroplating), to make base metals and alloys, fabricated metal products, furniture, ceramics, large scale chemicals, in mining, oilfield water systems, electricity-steam-gas-water supply, sewage treatment, building and construction work, agriculture-forestry-fishing; [ECHA REACH Registrations] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Electroplating [Category: Plate]
Use Classification
EPA Safer Chemical Functional Use Classes -> Oxidants and Oxidant Stabilizers
Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues
Cosmetics -> Chelating
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Phosphonic acid, P,P',P'',P'''-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-: ACTIVE
Applications
UsesThe phosphonate Diethylenetriaminepenta(methylenephosphonic acid) is a wastewater pollutant, and a component of phosphorous-containing nanoparticles and materials, such as in the preparation of chitosan nanoparticles for plutonium pulmonary decorporation.
UsesDiethylenetriaminepentakis(methylphosphonic acid) solution is suitable for use in a study to investigate the dynamics and kinetics of sodium sulfate crystallization in the presence of various organophosphonic acids. It may be employed as ligand for the characterization of Ce3+ complexes by luminescence spectroscopy.
General DescriptionDiethylenetriaminepentakis(methylphosphonic acid) (DTPMP) is a multidentate chelating agent. Hydrogen peroxide oxidation of DTPMP is reported. DTPMP, a phosphonate, is commonly used as crystallization inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Additional notes
DefinitionDiethylenetriamine five methene phosphoric acid are a kind of widely used corrosion inhibiting and descaling agents, outward appearance is brown color or red-brown thick liquid, nontoxic, molecular formula is C9H28O15N3P5, relative molecular weight is 573.2, be soluble in acidic solution, can form polynary ring huge legendary turtle compound with metal ion in the aqueous solution, loosely is scattered in water, destroy the calcium salt crystalline growths such as carbonate, sulfate scale, thereby play scale effect, can suppress the generation of carbonate, sulfate scale.
Related reactions
No reaction records under the current filter.
Compound notes
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