CAS 12167-74-7 Hydroxylapatite (Ca5(OH)(PO4)3) (HCID 14781)

Names & identifiers

Preferred name: Hydroxylapatite (Ca5(OH)(PO4)3)
IUPAC: pentacalcium;hydroxide;triphosphate
English name: Calcium phosphate tribasic
Molecular formula: 5Ca.3O4P.HO
Molecular weight: 502.31

Names & synonyms

Durapatite1306-06-5Calcium hydroxyapatiteRadiesseMoniteWin 40350Apatite, hydroxyCalcium hydroxylapatiteSupertite 10Calcium phosphate hydroxideCalcium orthophosphate, basicHydroxylapatite (Ca5(OH)(PO4)3)

Show more names

CALCIUM ORTHOPHOSPHATETRI-CALCIUM PHOSPHATEpentacalcium hydroxide tris(orthophosphate)Si-HApALPHA-TCPIc acidtriEinecs 235-330-6TERT-CALCIUM PHOSPHATEHydroxyapatite, powderCELLULOSE HYDROXYAPATIT

Pentacalcium monohydroxyorthophosphateInterpore200Interpore500215-145-7235-330-6Interpore 200Interpore 500Hydroxyapatite, Calcium

Database identifiers

CAS: 12167-74-7、1306-06-5
PubChem CID: 14781
DTXSID: DTXSID50872537
ChEMBL: CHEMBL2218916
UNII: 91D9GV0Z28
EC Number: 215-145-7、235-330-6

Properties

Computed structural properties

Topological polar surface area: 260 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 13
Rotatable bonds: 0
Heavy atoms: 21
Formal charge: 0
Complexity: 36

Experimental & physicochemical properties

DensityDensity: 3.1 to 3.2 /Apatite/

Color/Form · 2 items

Hexagonal needles arranged in rosettes

Finely divided, crystalline, nonstoichiometric material.

SolubilityPractically insol in water, even when freshly prepared

Physical Description · 2 items

Dry Powder

Solid; [Merck Index] White suspension; [MSDSonline]

Other Experimental PropertiesDecomposes above 1100 °C

Physicochemical properties

Melting point: 1100 °C · 1100 °C(lit.)
Density: 1.038 g/mL · 1.038 g/mL at 25 °C
bulk density: 2 · 2-6g/cm3
storage temp.: 2 · 2-8°C
solubility: 1 M · Soluble in 1 M Hydrochloric acid.
form: aqueous suspension
color: White
PH: 4 · 4-6
Water Solubility: Partially soluble in water.
Merck: 1694 · 1694
InChI: 1S/5Ca.3H3O4P.H2O/c;;;;;3*1-5(2,3)4;/h;;;;;3*(H3,1,2,3,4);1H2/q5*+2;;;;/p-10
InChIKey: XYJRXVWERLGGKC-UHFFFAOYSA-D
SMILES: [Ca++].[Ca++].[Ca++].[Ca++].O[Ca+].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O
SCOGS (Select Committee on GRAS Substances): Calcium phosphate tribasic
CAS DataBase Reference: 12167 · 12167-74-7(CAS DataBase Reference)
EPA Substance Registry System: Calcium hydroxide phosphate (12167-74-7)
UNSPSC Code: 41116107 · 41116107
NACRES: 72 · NA.72
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313-P261-P304+P340-P405-P501a
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-24/25-22
WGK Germany: 3 · 3
TSCA: Yes
HS Code: 2835260000 · 2835260000
Storage Class: 13 · 13 - Non Combustible Solids
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 97.8% (362 of 370) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 362 of 370 companies (only 2.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 370 reports by companies from 5 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 362 of 370 reports by companies.；There are 3 notifications provided by 8 of 370 reports by companies with hazard statement code(s).；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. For more detailed information, please visit ECHA C&L website.

This chemical does not meet GHS hazard criteria for 94% (188 of 200) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 188 of 200 companies (only 6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 200 reports by companies from 6 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 188 of 200 reports by companies.；There are 3 notifications provided by 12 of 200 reports by companies with hazard statement code(s).；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. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 5 items

Chemical: Hydroxylapatite (Ca5(OH)(PO4)3)

Hydroxylapatite (Ca5(OH)(PO4)3) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hydroxylapatite (Ca5(OH)(PO4)3) 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)

Status: Cease Manufacture Update: 15-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20278

Status: Active Update: 19-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15208

Hydroxylapatite (Ca5(OH)(PO4)3): Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Hydroxylapatite (Ca5(OH)(PO4)3): Environment tier I assessment；IMAP assessments - Hydroxylapatite (Ca5(OH)(PO4)3): Human health tier I assessment

Hazards SummaryMay cause irritation; [MSDSonline]

Hazard Classes and Categories · 2 items

Not Classified

Safety & protection

Disposal Methods · 1 item

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Protective Action Criteria (PAC) · 3 items

190 [mg/m3]

2100 [mg/m3]

12000 [mg/m3]

Toxicology

Natural Pollution Sources · 2 items

A natural calcium phosphate (usually containing fluorine) occurring in earth's crust as phosphate rock. ... /Occurs in/ Eastern US, California, the former USSR, Canada, Europe. /Apatite/

The major constituent of bone & tooth material.

Human Toxicity ExcerptsDeposition of microcrystals such as ... calcium hydroxyapatite into joints can cause acute or chronic arthritis in a manner similar to that caused by monosodium urate deposition.

Populations at Special RiskCalcium hydroxyapatite deposition disease, or apatite gout, ... usually occurs in younger persons ...

Regulatory information

Regulatory Information · 5 items

Chemical: Hydroxylapatite (Ca5(OH)(PO4)3)

Hydroxylapatite (Ca5(OH)(PO4)3) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hydroxylapatite (Ca5(OH)(PO4)3) 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)

Status: Cease Manufacture Update: 15-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20278

Status: Active Update: 19-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15208

Hydroxylapatite (Ca5(OH)(PO4)3): Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: Yes
hs_code: 2835260000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-24/25-22
Storage Class: 13 - Non Combustible Solids
Hazard statements: H315-H319-H335
REACH Registrations: Active
Precautionary statements: P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313-P261-P304+P340-P405-P501a

Chemistry & industry

Pharmacology

FDA Pharmacological Classification · 2 items

CALCAREA PHOSPHORICA

Cations, Divalent [CS]; Phosphate Chelating Activity [MoA]; Calcium [CS]; Blood Coagulation Factor [EPC]; Phosphate Binder [EPC]; Increased Coagulation Factor Activity [PE]

MeSH Pharmacological ClassificationSynthetic or natural materials, other than DRUGS, that are used to replace or repair any body TISSUES or bodily function.

Uses & manufacturing

Uses · 6 items

Naturally occurring mineral in phosphate rocks and in bone; [Merck Index] Used in fertilizers, laser crystals, ion-exchange chromatography (especially for proteins), artificial bone and teeth, and calcium/phosphorus supplement; [HSDB]

Source of phosphorus & phosphoric acid; mfr of fertilizers; laser crystals /Apatite/

USED IN DENTURE & ORTHOPEDIC MATERIALS; USED IN ION-EXCHANGE CHROMATOGRAPHY ESPECIALLY FOR PROTEINS

MEDICATION

Prosthetic aid (artificial bone and teeth).

For more Uses (Complete) data for HYDROXYAPATITE (6 total), please visit the HSDB record page.

U.S. Production2023: 10,000,000 - <50,000,000 lb；2022: 10,000,000 - <50,000,000 lb；2021: 10,000,000 - <50,000,000 lb；2020: 10,000,000 - <50,000,000 lb

Consumer UsesNot Known or Reasonably Ascertainable；Filler

Industry UsesProcessing aids not otherwise specified；Filler；Soil amendments (fertilizers)；Stabilizing agent

Methods of Manufacturing · 2 items

Prepd from Ca(NO3)2 and KH2PO4; from calcium phosphate, dibasic; from Ca(NO3)2.4H2O and (NH4)3PO4 plus NH4OH.

Dense hydroxyapatite ceramics are made by compressing calcium phosphate solids from a very fine powder form, known as greenstate, into a pellet which is then subjected to a heat treatment that causes the powder particles to fuse together by means of solid-state diffusion.

Household ProductsInformation on 13 consumer products that contain Calcium phosphate hydroxide in the following categories is provided:；• Landscaping/Yard

Applications · 3 items

UsesCalcium phosphate tribasic (C3161) is plant cell culture tested (0.2 mg/ml) and is appropriate for use in plant cell culture experiments. Calcium phosphate tribasic is utilized to engineer new biomaterials for applications such as bone grafts and fillers.

UsesSi-substituted hydroxyapatite (Si-HAp) nanopowder can be incorporated in biodegradable polymer composites or deposited on biocompatible surfaces similar to pure HAp nanopowder (cat. no. 677418). Biological activity of HAp was shown to be enhanced by substitution of silicon ions into a fraction of HAp lattice phosphate sites.1,2

General DescriptionHydroxyapatite is a key inorganic phosphate that has chemical and structural resemblance to bone. HAp is a popular biomaterial which finds use as a bone or teeth replacement and repair, hard tissue repair.