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Tetrasodium Etidronate

HCID 19629
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Basic information

CAS
29329-71-3
Standard SMILES
CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIKey
KWXLCDNSEHTOCB-UHFFFAOYSA-J
Molecular formula
C2H4Na4O7P2
Average molar mass
293.96 g/mol
Monoisotopic mass
293.90230359

Overview

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Names & identifiers

Preferred name
Tetrasodium Etidronate
IUPAC
tetrasodium;1,1-diphosphonatoethanol
English name
(1-Hydroxyethylidene)bis-phosphonic acid tetrasodium salt
Molecular formula
C2H9NaO7P2
Molecular weight
230.02

Names & synonyms

3794-83-0Tetrasodium etidronateTarpinel 4NLTurpinal 4NLSequion 10Na4etidronate tetrasodiumDefloc EN 43Dequest 2016UNII-CZZ9T1T1X4EINECS 223-267-7CZZ9T1T1X4Tetrasodium 1-hydroxyethylidene-1,1-diphosphonate
Show more names
HEDP.NA4hydroxyethylidene diphosphonateSodium Salt of 1-Hydroxyethylene -1, 1,-Diphosphonic Acid HEDP.4NaHEDO.NA4deflocen43dequest2016tarpinel4nlturpinal4nlsequion10na4hedp tetrasodium salt
(1-Hydroxyethylidene)diphosphonic acid, tetrasodium saltEthane-1-hydroxy-1,1-diphosphonic acid, tetrasodium salt1-Hydroxyethylidene-1,1-diphosphonic acid, tetrasodium saltDTXSID7029663Tetrasodium 1-hydroxyethane-1, 1-diphosphonateEC 223-267-7ETIDRONATE TETRASODIUM [WHO-DD](1-Hydroxyethylidene)bisphosphonic acid, tetrasodium salt

Database identifiers

CAS
29329-71-3、3794-83-0

Properties

Computed structural properties

Topological polar surface area
147 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
0
Heavy atoms
15
Formal charge
0
Complexity
188

Experimental & physicochemical properties

Cosmetics · 2 items

Cosmetic ingredients (Tetrasodium Etidronate) -> CIR (Cosmetic Ingredient Review)

Chelating; Viscosity controlling; Emulsion stabilizing

Physical DescriptionLiquid; Dry Powder

Physicochemical properties

Density
2.074 · 2.074[at 20℃]
vapor pressure
0 Pa · 0Pa at 25℃
solubility
Aqueous Acid (Slightly), Water (Sparingly)
pka
2.18 · 2.18[at 20 ℃]
form
Solid
color
White to Off-White
Water Solubility
774 g/L · 774g/L at 20℃
Stability
Hygroscopic
Cosmetics Ingredients Functions
CHELATINGEMULSION STABILISINGVISCOSITY CONTROLLING
InChI
InChI=1S/C2H8O7P2.Na.H/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 0.8% (6 of 738) of reports.

Warning

H302 (83.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 738 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Hazard information

Regulatory Information · 6 items

Chemical: Phosphonic acid, (1-hydroxyethylidene)bis-, tetrasodium salt

Chemical: Phosphonic acid, (1-hydroxyethylidene)bis-, sodium salt

Phosphonic acid, P,P'-(1-hydroxyethylidene)bis-, sodium salt (1:4) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P,P'-(1-hydroxyethylidene)bis-, sodium salt (1:4) 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: Tetrasodium (1-hydroxyethylidene)bisphosphonate (EC: 223-267-7)

Phosphonic acid, (1-hydroxyethylidene)bis-, sodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Etidronate tetrasodium: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2 items

IMAP assessments - Etidronic acids: Human health tier II assessment

IMAP assessments - Etidronic acids: Human health tier II assessment

Hazard Classes and Categories · 3 items

Acute Tox. 4 (83.6%)

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Tetrasodium Etidronate
U.S. Production2023: 415,885 lb
Consumer UsesDispersing agent
Industry UsesAnti-scaling agent
Household ProductsInformation on 125 consumer products that contain Tetrasodium etidronate in the following categories is provided:
Use ClassificationCosmetics -> Chelating; Viscosity controlling; Emulsion stabilizing
General Manufacturing Information · 2 items

Construction

Phosphonic acid, P,P'-(1-hydroxyethylidene)bis-, sodium salt (1:4): ACTIVE

Applications

Uses(1-Hydroxyethylidene)bis-phosphonic Acid Tetrasodium Salt is used in method for applying a gel compound on a surface of a device and corresponding coated device.

Upstream & downstream products

Upstream raw materials

Etidronic AcidPhosphonic acid

Related reactions

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Compound notes

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PubChem CID
19629
DTXSID
DTXSID7029663
UNII
CZZ9T1T1X4
EC Number
223-267-7
Nikkaji
J87.541D
InChIKey
MFKOTRZLMIUIGE-UHFFFAOYSA-N
SMILES
C(O)(C)(P(O)(O)=O)P(O)(O)=O.[NaH]
LogP
-3 at · -3 at 23℃
CAS DataBase Reference
3794 · 3794-83-0(CAS DataBase Reference)
FDA UNII
9 T1T1X4 · CZZ9T1T1X4
EPA Substance Registry System
Phosphonic acid, (1-hydroxyethylidene)bis-, tetrasodium salt (3794-83-0)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319-H302
Precautionary statements
264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes
Xi,Xn
Risk Statements
36 · 36/38-36-22
Safety Statements
26 · 26-36/37/39-36
RTECS
6475000 · JL6475000
TSCA
TSCA listed
Toxicity
50 · rat,LD50,oral,990mg/kg (990mg/kg),KIDNEY, URETER, AND BLADDER: CHANGES IN BOTH TUBULES AND GLOMERULI,Toxicology and Applied Pharmacology. Vol. 22, Pg. 661, 1972.
REACH Registrations
Active

Acute toxicity - category 4

Acute toxicity - category 4

Toxicology

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

Safety data

tsca
TSCA listed
rtecs
JL6475000
Toxicity
rat,LD50,oral,990mg/kg (990mg/kg),KIDNEY, URETER, AND BLADDER: CHANGES IN BOTH TUBULES AND GLOMERULI,Toxicology and Applied Pharmacology. Vol. 22, Pg. 661, 1972.
risk_code
36/38-36-22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn
safety_code
26-36/37/39-36
Hazard statements
H319-H302
REACH Registrations
Active
Precautionary statements
P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P