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2809-21-4

Basic Information
CAS No.: 2809-21-4
Name: 1-Hydroxyethane-1,1-diphosphonic Acid
Article Data: 40
Cas Database
Molecular Structure:
Molecular Structure of 2809-21-4 (1-Hydroxyethane-1,1-diphosphonic Acid)
Formula: C2H8O7P2
Molecular Weight: 206.029
Synonyms: (1-Hydroxyethylidene)bisphosphonic acid;(1-Hydroxyethylidene)diphoshonic acid;(Hydroxyethylidene)diphosphonic acid;1,1,1-Ethanetriol diphosphonate;1-Hydroxyethane-1,1-bisphosphonic acid;1-Hydroxyethane-1,1-diphosphonate;1-Hydroxyethanediphosphonic acid;1-Hydroxyethylidene-1,1-bisphosphonate;1000SL;Acetodiphosphonic acid;Acide etidronique [INN-French];Acidum etidronicum [INN-Latin];BRN 1789291;Dequest 2010;Dequest Z 010;EHDP;Ethane-1-hydroxy-1,1-diphosphonic acid;Etidronate;Ferrofos 510;Hydroxyethane-1,1-diphosphonic acid;Oxyethylidenediphosphonic acid;Phosphonic acid, (1-hydroxyethylidene)di-;RP 61;Turpinal SL;UNII-M2F465ROXU;Phosphonic acid, P,P'-(1-hydroxyethylidene)bis-;1-Hydroxy Ethylidene-1,1-Diphosphonic Acid (HEDP);HT-101 HEDP;
EINECS: 220-552-8
Density: 2.114 g/cm3
Melting Point: 198~199 °C
Boiling Point: 578.8 °C at 760 mmHg
Flash Point: 303.8 °C
Solubility: Soluble in water.
Appearance: light beige powder
Hazard Symbols: IrritantXi
Risk Codes: 37/38-41
Safety: 26-39
Transport Information: UN 3265
PSA: 154.91000
LogP: -0.99220
Synthetic route
15207-88-2

(1-hydroxyethylidene)bisphosphonic acid tetramethyl ester

2809-21-4

1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions
ConditionsYield
With hydrogenchloride100%
75-36-5

acetyl chloride

2809-21-4

1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions
ConditionsYield
Stage #1: acetyl chloride With tris(trimethylsilyl) phosphite at 25℃;
Stage #2: In methanol at 25℃; for 1h;
98%
With phosphonic Acid at 120℃;
Stage #1: acetyl chloride With tris(trimethylsilyl) phosphite Cooling with liquid nitrogen;
Stage #2: With methanol for 4h;
64-19-7

acetic acid

2809-21-4

1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions
ConditionsYield
With (1-acetyloxyethylidene)-1,1-bisphosphonic acid In water at 75 - 110℃; for 5h;97%
With phosphonic Acid; phosphorus trichloride In chlorobenzene at 100℃; for 3h; Inert atmosphere;87%
With P4O6 heating, other monocarboxylic acids;
12440-00-5

phosphorus(III) oxide

64-19-7

acetic acid

2809-21-4

1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions
ConditionsYield
With water at 150℃; under 15001.5 Torr; Concentration; Temperature; Pressure;97%

C17H48O7P2Si5

2809-21-4

1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions
ConditionsYield
With methanol for 1h;90%
140-39-6

1-acetoxy-4-methylbenzene

2809-21-4

1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions
ConditionsYield
With hydrogenchloride; P4O6; boron trifluoride 1.) 20 deg C to 25 deg C, 20 h, 2.) 10 h;68%
628-63-7

1-pentyl acetate

2809-21-4

1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions
ConditionsYield
With phosphonic Acid; phosphorus trichloride In sulfolane; water 1.) 40 deg C to 60 deg C, 1 h 30 min, 2.) 108 deg C to 113 deg C, 6 h;39%
60-35-5

acetamide

1655-07-8

ethyl 2-oxocyclohexane carboxylate

A

2809-21-4

1-hydroxyethylene-(1,1-diphosphonic acid)

B

102402-46-0

2-amino-2-phosphonocyclohexanecarboxylic acid

C

124589-58-8

ammonium 1-aminoethane-1,1-diphosphonate

D

67398-11-2

α-amino cyclohexylphosphonic acid

Conditions
ConditionsYield
Stage #1: acetamide With acetyl chloride In acetic acid for 0.25h; Cooling with ice;
Stage #2: ethyl 2-oxocyclohexane carboxylate In acetic acid at 20℃; Cooling with ice; Further stages;
A 4 %Spectr.
B 30%
C 21 %Spectr.
D 18%
628-63-7

1-pentyl acetate

A

2809-21-4

1-hydroxyethylene-(1,1-diphosphonic acid)

B

104392-46-3

(Pentyloxy-phosphono-methyl)-phosphonic acid

Conditions
ConditionsYield
With hydrogenchloride; P4O6; boron trifluoride 1.) 50 deg C, 4 h, 2.) 6 h;A 22%
B 13%
60-35-5

acetamide

10472-24-9

methyl 2-oxocyclopentane-1-carboxylate

A

2809-21-4

1-hydroxyethylene-(1,1-diphosphonic acid)

B

124589-58-8

ammonium 1-aminoethane-1,1-diphosphonate

C

67550-64-5

α-amino cyclopentylphosphonic acid

D

81746-49-8

2-Amino-2-phosphono-cyclopentanecarboxylic acid

Conditions
ConditionsYield
Stage #1: acetamide With acetyl chloride In acetic acid for 0.25h; Cooling with ice;
Stage #2: methyl 2-oxocyclopentane-1-carboxylate With phosphorus trichloride In acetic acid at 20℃; Cooling with ice; Further stages;
A 4%
B 20%
C 3 %Spectr.
D 64 %Spectr.
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  • 1-Hydroxyethane-1,1-diphosphonic AcidCAS NO.: 2809-21-4

  • Casno:

    2809-21-4

    1-Hydroxyethane-1,1-diphosphonic AcidCAS NO.: 2809-21-4

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  • 1-Hydroxyethylidene-1,1-diphosphonic acid with CAS:	2809-21-4

  • Casno:

    2809-21-4

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  • China Supplier High Quality 99% Purity CAS #2809-21-4 Powder

  • Casno:

    2809-21-4

    MSDS/COA Download

    China Supplier High Quality 99% Purity CAS #2809-21-4 Powder

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Chemistry

Molecular structure of 1-Hydroxyethane-1,1-diphosphonic Acid (CAS NO.2809-21-4) is:

Product Name: 1-Hydroxyethane-1,1-diphosphonic Acid
CAS Registry Number: 2809-21-4
IUPAC Name: (1-hydroxy-1-phosphonoethyl)phosphonic acid
Molecular Weight: 206.028242 [g/mol]
Molecular Formula: C2H8O7P2
XLogP3-AA: -3.7
H-Bond Donor: 5
H-Bond Acceptor: 7 
EINECS: 220-552-8
Melting Point: 198~199 °C 
Stability: Stable. Incompatible with strong oxidizing agents.
Surface Tension: 139.2 dyne/cm
Density: 2.114 g/cm3
Flash Point: 303.8 °C
Enthalpy of Vaporization: 99.45 kJ/mol
Boiling Point: 578.8 °C at 760 mmHg
Vapour Pressure: 8.34E-16 mmHg at 25°C
Product Categories: Industrial/Fine Chemicals;Inorganic & Organic Chemicals;Analytical Chemistry;Ligands for Pharmaceutical Research;Radiopharmaceutical Chemistry (Chelating Reagents);Phosphonate antiscalant

Uses

 1-Hydroxyethane-1,1-diphosphonic Acid (CAS NO.2809-21-4) is a bisphosphonate used in detergents, water treatment, cosmetics and pharmaceutical treatment. It is a chelating agent and may be added to bind or, to some extent, counter the effects of substances, such as calcium, iron or other metal ions, which may be discharged as a component of grey wastewater and could conceivably contaminate groundwater supplies. As a phosphonate it has corrosion inhibiting properties on unnalloyed steel. It also acts to retard rancidification and oxidation of fatty acids.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1800mg/kg (1800mg/kg)   Angewandte Chemie, International Edition in English. Vol. 14, Pg. 94, 1975.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. When heated above 200° it decomposes violently to produce toxic fumes of phosphine, phosphoric acid, and POx.
Hazard Codes: IrritantXi
Risk Statements: 37/38-41 
R37/38:Irritating to respiratory system and skin. 
R41:Risk of serious damage to the eyes.
Safety Statements: 26-39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S39:Wear eye / face protection.
RIDADR: UN 3265
WGK Germany: 2
RTECS: SZ8562100
F: 10
HazardClass: 8
PackingGroup: II

Specification

 1-Hydroxyethane-1,1-diphosphonic Acid , its cas register number is 2809-21-4. It also can be called (1-Hydroxyethylidene)bisphosphonic acid ; 1-Hydroxy-1,1-diphosphonoethane ; 1-Hydroxyethane-1,1-diphosphonic Acid [USAN:INN:BAN] ; Phosphonic acid, (1-hydroxyethylidene)bis- ; (1-Hydroxyethylene)diphosphonic acid ; (1-Hydroxyethylidene)bis(phosphonic acid) .It is a light beige powder.