Calcium phosphate monobasic

Iupac Name：calcium;dihydrogen phosphate

Molecular Weight：234.05

Modify Date.: 2023-01-16 14:34

Introduction: Chiefly in fertilizers; as acidulant in baking powders and in wheat flours; mineral supplement for foods and feeds; in enameling. View more+

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1. Names and Identifiers

1.1 Name: Calcium phosphate monobasic
1.2 Synonyms: Acidcalciumphosphate AMCP c38(phosphate) CALCIUM ACID PHOSPHATE Calcium biphosphate Calcium bis(dihydrogen phosphate) CALCIUM DIHYDROGEN PHOSPHATE Calcium Dihydrogenphoshate Calcium monobasic phosphate calcium superphosphate calcium,dihydrogen phosphate EINECS 231-837-1 MFCD00010898 MONO CALCIUM PHOSPHATE Monobasic calcium phosphate Monocalcium phosphate PY-RAN(R) QPQQO &&Ca salt 2:1

1.3 CAS No.: 7758-23-8

1.4 CID: 24454

1.5 EINECS(EC#): 231-837-1

1.6 Molecular Formula: CaH4O8P2 (isomer)

1.7 Inchi: InChI=1S/Ca.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2

1.8 InChIkey: YYRMJZQKEFZXMX-UHFFFAOYSA-L

1.9 Canonical Smiles: OP(=O)(O)[O-].OP(=O)(O)[O-].[Ca+2]

1.10 Isomers Smiles: OP(=O)(O)[O-].OP(=O)(O)[O-].[Ca+2]

2. Properties

2.1 Density: 2.22（16/4 °C）

2.1 Boiling point: 158 °C at 760 mmHg

2.1 Precise Quality: 233.90100

2.1 PSA: 180.80000

2.1 logP: -0.98080

2.1 AnalyticLaboratory Methods: Method 3500 Calcium; D. EDTA; Titrimetric Method for the determination of calcium; in polluted water; and wastewater samples. When EDTA; (ethylenediaminetetraacetic acid; or its salts) is added to water; containing both calcium; and magnesium;, it combines first with the calcium;. Calcium; can be determined directly, with EDTA;, when the pH is made sufficiently high that the magnesium; is largely precipitated as the hydroxide; and an indicator is used that combines with calcium; only. Several indicators give a color change when all of the calcium; has been complexed by the EDTA; at a pH of 12 to 13. Strontium; and barium; give a positive interference and alkalinity in excess of 300 mg/l may cause an indistinct end point in hard waters. A synthetic sample containing 108 mg calcium;/l in distilled water; was analyzed in 44 laboratories by the EDTA; titrimetric method, with a relative standard deviation of 9.2% and a relative error of 1.9%. /Calcium;/

2.2 Appearance: Crystals

2.3 Chemical Properties: white crystalline powder

2.4 Color/Form: SHINING TRICLINIC PLATES, CRYSTALLINE POWDER OR GRANULES
COLORLESS, PEARLY SCALES OR POWDER

2.5 Physical: PelletsLargeCrystals

2.6 Water Solubility: SOL IN DIL HYDROCHLORIC ACID; MODERATELY SOL IN WATER; SOL IN NITRIC ACID OR ACETIC ACID

2.7 Stability: Stable. Incompatible with strong acids.

2.8 StorageTemp: Keep tightly closed in a cool place in a tightly closed container.

3. Use and Manufacturing

3.1 GHS Classification: Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 268 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 3 of 268 companies. For more detailed information, please visit ECHA C&L website

Of the 4 notification(s) provided by 265 of 268 companies with hazard statement code(s):

H318 (89.43%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H319 (10.57%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P264, P280, P305+P351+P338, P310, P33, and P313

3.2 Methods of Manufacturing: Neutralize industrial-grade phosphoric acid with lime milk and control the end point PH3.2 to obtain calcium dihydrogen phosphate.?The reaction solution is concentrated, crystallized, matured and dried to obtain the product.

3.3 Usage: Chiefly in fertilizers; as acidulant in baking powders and in wheat flours; mineral supplement for foods and feeds; in enameling.

4. Safety and Handling

4.1 Hazard Codes: Xi

4.1 Risk Statements: R36/37/38

4.1 Safety Statements: S26;S37/39

4.1 Exposure Standards and Regulations: Monobasic calcium phosphate used as a sequestrant in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice.
Monobasic calcium phosphate used as a sequestrant in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice.
Calcium phosphate (mono-, di-, and tribasic) used as a multiple purpose GRAS food substance in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, tribasic) used as a dietary supplement in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, and tribasic) used as a nutrient in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, and tribasic) used as a general purpose food additive in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, andtribasic) used as a nutrient and/or dietary supplement in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, and tribasic) used as a multiple purpose GRAS food substance in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, tribasic) used as a dietary supplement in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, and tribasic) used as a nutrient in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, and tribasic) used as a general purpose food additive in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, and tribasic) used as a nutrient and/or dietary supplement in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. /Calcium phosphate (mono-, di-, and tribasic)/

4.2 Hazard Declaration: H318

4.2 Caution Statement: P264, P280, P305+P351+P338, P310, P33, P313

4.2 Formulations/Preparations: SUPERPHOSPHATE OBTAINED FROM SULFURIC ACID TREATMENT IS ABOUT 30% CALCIUM SUPERPHOSPHATE, 10% DICALCIUM ORTHOPHOSPHATE, 45% CALCIUM SULFATE, 10% IRON OXIDE, SILICA, ALUMINA ET CETERA, & 5% WATER ... CONTAINS 18-21% AVAIL PHOSPHORUS PENTOXIDE. TRIPLE SUPERPHOSPHATE ... FROM PHOSPHORIC ACID TREATMENT CONTAINS FROM 43-50% AVAIL PHOSPHORUS PENTOXIDE.
Grade: FCC /Food Chemicals Codex/, ceramic, anhydrous, hydrated

4.3 WGK Germany: 2

4.3 RTECS: TB8527000

4.3 Safety: Hazard Codes:?Xi
Risk Statements: 36/37/38
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 2
RTECS: TB8527000

4.4 Specification: ?Calcium dihydrogenphoshate , its cas register number is 7758-23-8. It also can be called Calcium superphosphate ; and Acid calcium phosphate . Calcium dihydrogenphoshate (CAS NO.7758-23-8), a major component of phosphate rock such as phosphorite,apatite, and other phosphate minerals, is too insoluble to be an efficient fertilizer. The result is hydrated to turn the calcium sulfate into the dihydrate gypsum and sold as superphosphate of lime. Alternately phosphate rock may be treated with phosphoric acid to produce a purer form of monocalcium phosphate and is sold as triple phosphate.

4.5 Toxicity: Oral-rat LD50: 3986 mg/kg; Oral-Mouse LD50: 15250 mg/kg

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H318 Causes serious eye damage
Precautionary statement(s)
Prevention	P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/\u2026
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. Other Information

6.0 Merck: 13,1698

6.1 Chemical Properties: white crystalline powder

6.2 Physical properties: Colorless shiny crystals, granules or powder; the impure material is hygro scopic due to the presence of trace phosphoric acid and other impurities; acid taste; density (monohydrate 2.22 g/cm³); monohydrate loses water at 100°C; decomposes at 200°C; moderately soluble in water; aqueous solution acidic; soluble in dilute mineral acids and acetic acid.

6.3 Uses: Chiefly in fertilizers; as acidulant in baking powders and in wheat flours; mineral supplement for foods and feeds; in enameling.

6.4 Preparation: Monobasic calcium phosphate may be prepared in the laboratory by the reaction of calcium carbonate with phosphoric acid:
CaCO₃ + 2H₃PO₄ → Ca(H₂PO₄)2 + CO₂ + H₂O

6.5 Storage Conditions: Neutralize industrial-grade phosphoric acid with lime milk and control the end point PH3.2 to obtain calcium dihydrogen phosphate.?The reaction solution is concentrated, crystallized, matured and dried to obtain the product.

6.6 Storage features: Warehouse ventilated, low temperature and dry

7. Computational chemical data

Molecular Weight: 234.05g/mol
Molecular Formula: CaH₄O₈P₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 233.9007319
Monoisotopic Mass: 233.9007319
Complexity: 49.8
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 4
Hydrogen Bond Acceptor Count: 8
Topological Polar Surface Area: 161
Heavy Atom Count: 11
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 3
CACTVS Substructure Key Fingerprint: AAADcYAAPAMAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACCAAAAAAAAAAAAAAABAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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