ETHYLENE DIAMINE TETRAACETIC ACID 99.4% AR/ACS

Name: ETHYLENE DIAMINE TETRAACETIC ACID 99.4% AR/ACS
Brand: Chempure
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CAS Number

60-00-4

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IUPAC name	2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
inchi	InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
inchi key	KCXVZYZYPLLWCC-UHFFFAOYSA-N
molecular formula	C10H16N2O8
synonyms	EDTA Edetic acid Ethylenediaminetetraacetic acid 60-00-4 Edathamil
Compound Description	Ethylenediamine tetraacetic acid is a colorless crystalline solid. It is slightly soluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. It is used in chemical analysis, to make detergents and cleaning compounds, and for many other uses. Ethylenediaminetetraacetic acid is a tetracarboxylic acid, an ethylenediamine derivative and a polyamino carboxylic acid. It has a role as an antidote, a geroprotector, a chelator, a copper chelator and an anticoagulant. It is a conjugate acid of an EDTA. A chelating agent that sequesters a variety of polyvalent cations. It is used in pharmaceutical manufacturing and as a food additive. Edetic acid is a Lead Chelator and Anti-coagulant. The mechanism of action of edetic acid is as a Lead Chelating Activity and Calcium Chelating Activity. The physiologic effect of edetic acid is by means of Decreased Coagulation Factor Activity. Edetic acid has been reported in Perilla frutescens, Apis cerana, and other organisms with data available. Edetate Disodium is the disodium salt form of edetate, a heavy metal chelating agent with anti-hypercalcemic and anti-arrhythmic properties. Edetate, a heavy metal antagonist, chelates divalent and trivalent metals, forming soluble stable complexes which are readily excreted by the kidneys, thereby can be used to lower serum calcium concentrations. In addition, this agent exerts a negative inotropic effect on the heart through a transiently induced hypocalcemic state, thereby antagonizing the inotropic and chronotropic effects of digitalis glycosides on the ventricles of the heart. Upon ocular administration, edetate exerts its ophthalmic effect by chelating calcium to form soluble complexes, thereby removing corneal calcium deposits. Edetic Acid is the acid form of edetate, a chelating agent with anti-hypercalcemic and anticoagulant properties. Edetic acid binds calcium and heavy metal ions, forming soluble stable complexes which are readily excreted by the kidneys. This results in a decrease in serum calcium levels. This agent is also used as an anticoagulant for blood specimens and is applied as a treatment of lead poisoning. EDETIC ACID is a small molecule drug with a maximum clinical trial phase of III. A chelating agent that sequesters a variety of polyvalent cations. It is used in pharmaceutical manufacturing and as a food additive. [PubChem] A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive. See also: Edetate Sodium ; Edetate Disodium ; Edetate Trisodium ... View More ...

Computed Properties

Molecular Weight:	292.24 g/mol
XLogP3:	-5.9
Hydrogen Bond Donor Count:	4
Hydrogen Bond Acceptor Count:	10
Rotatable Bond Count:	11
Exact Mass:	292.09066547 g/mol
Monoisotopic Mass:	292.09066547 g/mol
Topological Polar Surface Area:	156 Å²
Heavy Atom Count:	20
Formal Charge:	0
Complexity:	316
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (39.8%) Acute Tox. 4 (24.4%) Skin Irrit. 2 (29.6%) Eye Irrit. 2 (34.5%) Acute Tox. 4 (46.8%) STOT SE 3 (29%) STOT RE 2 (27.9%) Aquatic Chronic 3 (27.5%) Acute Tox. 4 (58.5%) Skin Irrit. 2 (58.5%) Eye Irrit. 2 (61.2%) Acute Tox. 4 (28.9%) STOT SE 3 (56.7%) STOT RE 2 (24.8%) Eye Irrit. 2 (99.4%) Acute Tox. 4 (23.4%) STOT RE 2 (20.4%) Eye irritation - category 2 Serious eye damage/eye irritation - Category 2B Reproductive toxicity - Category 2 Specific target organ toxicity - Repeated exposure - Category 1 (kidney) Hazardous to the aquatic environment (Acute) - Category 3 Hazardous to the aquatic environment (Long-term) - Category 3 Acute toxicity (Oral) - Category 5 Hazardous to the aquatic environment (Acute) - Category 2 Hazardous to the aquatic environment (Long-term) - Category 2 Eye Irrit. 2
precautionary statement codes	P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (39.8%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (24.4%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (29.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (34.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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IUPAC name	2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
inchi	InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
inchi key	KCXVZYZYPLLWCC-UHFFFAOYSA-N
molecular formula	C10H16N2O8
synonyms	EDTA Edetic acid Ethylenediaminetetraacetic acid 60-00-4 Edathamil
Compound Description	Ethylenediamine tetraacetic acid is a colorless crystalline solid. It is slightly soluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. It is used in chemical analysis, to make detergents and cleaning compounds, and for many other uses. Ethylenediaminetetraacetic acid is a tetracarboxylic acid, an ethylenediamine derivative and a polyamino carboxylic acid. It has a role as an antidote, a geroprotector, a chelator, a copper chelator and an anticoagulant. It is a conjugate acid of an EDTA. A chelating agent that sequesters a variety of polyvalent cations. It is used in pharmaceutical manufacturing and as a food additive. Edetic acid is a Lead Chelator and Anti-coagulant. The mechanism of action of edetic acid is as a Lead Chelating Activity and Calcium Chelating Activity. The physiologic effect of edetic acid is by means of Decreased Coagulation Factor Activity. Edetic acid has been reported in Perilla frutescens, Apis cerana, and other organisms with data available. Edetate Disodium is the disodium salt form of edetate, a heavy metal chelating agent with anti-hypercalcemic and anti-arrhythmic properties. Edetate, a heavy metal antagonist, chelates divalent and trivalent metals, forming soluble stable complexes which are readily excreted by the kidneys, thereby can be used to lower serum calcium concentrations. In addition, this agent exerts a negative inotropic effect on the heart through a transiently induced hypocalcemic state, thereby antagonizing the inotropic and chronotropic effects of digitalis glycosides on the ventricles of the heart. Upon ocular administration, edetate exerts its ophthalmic effect by chelating calcium to form soluble complexes, thereby removing corneal calcium deposits. Edetic Acid is the acid form of edetate, a chelating agent with anti-hypercalcemic and anticoagulant properties. Edetic acid binds calcium and heavy metal ions, forming soluble stable complexes which are readily excreted by the kidneys. This results in a decrease in serum calcium levels. This agent is also used as an anticoagulant for blood specimens and is applied as a treatment of lead poisoning. EDETIC ACID is a small molecule drug with a maximum clinical trial phase of III. A chelating agent that sequesters a variety of polyvalent cations. It is used in pharmaceutical manufacturing and as a food additive. [PubChem] A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive. See also: Edetate Sodium ; Edetate Disodium ; Edetate Trisodium ... View More ...

Computed Properties

Molecular Weight:	292.24 g/mol
XLogP3:	-5.9
Hydrogen Bond Donor Count:	4
Hydrogen Bond Acceptor Count:	10
Rotatable Bond Count:	11
Exact Mass:	292.09066547 g/mol
Monoisotopic Mass:	292.09066547 g/mol
Topological Polar Surface Area:	156 Å²
Heavy Atom Count:	20
Formal Charge:	0
Complexity:	316
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (39.8%) Acute Tox. 4 (24.4%) Skin Irrit. 2 (29.6%) Eye Irrit. 2 (34.5%) Acute Tox. 4 (46.8%) STOT SE 3 (29%) STOT RE 2 (27.9%) Aquatic Chronic 3 (27.5%) Acute Tox. 4 (58.5%) Skin Irrit. 2 (58.5%) Eye Irrit. 2 (61.2%) Acute Tox. 4 (28.9%) STOT SE 3 (56.7%) STOT RE 2 (24.8%) Eye Irrit. 2 (99.4%) Acute Tox. 4 (23.4%) STOT RE 2 (20.4%) Eye irritation - category 2 Serious eye damage/eye irritation - Category 2B Reproductive toxicity - Category 2 Specific target organ toxicity - Repeated exposure - Category 1 (kidney) Hazardous to the aquatic environment (Acute) - Category 3 Hazardous to the aquatic environment (Long-term) - Category 3 Acute toxicity (Oral) - Category 5 Hazardous to the aquatic environment (Acute) - Category 2 Hazardous to the aquatic environment (Long-term) - Category 2 Eye Irrit. 2
precautionary statement codes	P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (39.8%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (24.4%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (29.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (34.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Product No: EE1221

ETHYLENE DIAMINE TETRAACETIC ACID 99.4% AR/ACS

Product No: EE1221

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Product No: EE1221

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

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