ChemicalBook CAS DataBase List 67-43-6

67-43-6

Name	Diethylenetriaminepentaacetic acid
CAS	67-43-6
EINECS(EC#)	200-652-8
Molecular Formula	C14H23N3O10
MDL Number	MFCD00004289
Molecular Weight	393.35
MOL File	67-43-6.mol

Synonyms

(CARBOXYMETHYLIMINO)BIS(ETHYLENEDINITRILO)TETRAACETIC ACID (CARBOXYMETHYLIMINO)BIS(ETHYLENENITRILO)TETRAACETIC ACID COMPLEXONE V(R) DETAPAC DIETHYLENETRIAMINE-N,N,N',N'',N''-PENTAACETIC ACID DIETHYLENETRIAMINEPENTAACETIC ACID DIETHYLENETRIAMINEPENTACETIC ACID (DIETHYLENETRINITRILO)PENTAACETIC ACID DIPA DTPA DTRA HAMPEX ACID IDRANAL(R) V LABOTEST-BB LT00452993 N,N-BIS(2-[BIS(CARBOXYMETHYL)AMINO]ETHYL)GLYCINE PENTA(CARBOXYMETHYL)DIETHYLENETRIAMINE PENTETIC ACID TIMTEC-BB SBB008753 TITRIPLEX(R) V TITRIPLEX(R) VS

Chemical Properties

Appearance	solid
Melting point	219-220 °C (lit.)
Boiling point	517.84°C (rough estimate)
bulk density	580kg/m3
density	1.56
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
form	Crystalline Powder
pka	pK1:;pK2:2.55(+1);pK3:4.33(+2);pK4:8.60(-3);pK5,10.58 (25°C)
color	White to almost white
PH	2-3 (H2O, 20℃)(saturated solution)
Stability:	Stable. Incompatible with strong oxidizing agents.
biological source	synthetic (organic)
Water Solubility	5 g/L (20 ºC)
Merck	14,7125
BRN	1810219
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	67-43-6(EPA Substance)

Safety Data

Symbol(GHS)	GHS07,GHS08
Signal word	Warning
Hazard statements	H319-H332-H361fd-H373
Precautionary statements	P201-P202-P260-P304+P340+P312-P305+P351+P338-P308+P313
Hazard Codes	Xi,N
Risk Statements	R36:Irritating to the eyes. R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . S61:Avoid release to the environment. Refer to special instructions safety data sheet . S37/39:Wear suitable gloves and eye/face protection . less more
RIDADR	UN 3077 9/PG 3
WGK Germany	2
RTECS	MB8205000
F	3
TSCA	Yes
REACH Registrations	Active
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
Safety Profile	Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx. less more
Toxicity	LD50 orally in Rabbit: > 2000 mg/kg less more

Raw materials And Preparation Products

Hazard Information

Chemical Properties

Diethylenetriaminepentaacetic acid is a solid.

Chemical Properties

Pentetic acid occurs as a white crystalline solid and is almost odorless.

Chemical Properties

solid

Uses

chelating agent, diagnostic aid

Uses

Diethylenetriaminepentaacetic Acid is a component of manganese and zinc fertilizers.

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-).

Production Methods

Pentetic acid is a pentaacetic acid triamine formed during the preparation of the amino carboxylic acid and its salt.

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 preparation of imaging and contrast agents for radionuclide and magnetic resonance imaging.It is also used as a carrier excipient for neutron-capture isotopes in, for example, radiotherapy.Pentetic acid–isotope complexes have also been considered as model active substances in scintigraphic imaging studies.Pentetic acid has been used to chelate metal ions to reduce formation of reactive oxygen species during lyophilization.

Safety

Pentetic acid is used in intrathecal and intravenous injection preparations. The pure form of pentetic acid is moderately toxic by 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 cause unwanted effects in formulations containing metal ions. The desired chelate 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 cause unwanted effects in formulations containing metal ions. The desired chelate may be displaced by other ions from the formulation.

Regulatory Status

Included in the FDA Inactive Ingredients Database (intrathecal and intravenous injections). Included in intravenous and intra-articular injections licensed in the UK.

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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