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Phosphoric Acid

Properties, data and information sources.

 

Contents

Phosphoric acid is an inorganic chemical compound belonging to the group of triprotic oxoacids, in which phosphorus occurs in the +V oxidation state. Accordingly, the acid can be deprotonated in three steps, forming three different anions, which in turn form three different phosphoric acid salts:

 

1. Dihydrogen phosphates (dihydrogen phosphate anion):

H3PO4(aq) + H2O(l) ⇌ H3O+(aq) + H2PO4-(aq)  /  Ks1 = 6,9 × 10-3; pKs1 = 2,161.

 

2. Hydrogen phosphates (hydrogen phosphate anion):

H2PO4-(aq) + H2O(l) ⇌ H3O+(aq) + HPO42-(aq)  /  Ks2 = 6,2 × 10-8; pKs2 = 7,207.

 

3. Phosphates (phosphate anion):

HPO42-(aq) + H2O(l) ⇌ H3O+(aq) + PO43-(aq)  /  Ks3 = 4,7 × 10-13; pKs3 = 12,325.

 

The esters of phosphoric acid are also called phosphates or organophosphates.

 

Names and Identifiers

Name
Phosphoric Acid
Formula
H3O4P
H3PO4
Molar mass
97.994 (g/mol)
CAS registry number
7664-38-2
EC number EINECS
616-646-7
InChI Key
NBIIXXVUZAFLBC-UHFFFAOYSA-N

INCI name
PHOSPHORIC ACID

 

Chemical formulas

Molecular formula and structural formula of Phosphoric Acid:

 

H3O4P or H3PO4

Mr = 97.9938 g/mol
SMILES: OP(=O)(O)O

 

Data and Properties

Pure anhydrous phosphoric acid is a white, non-volatile, non-flammable, odorless, highly hygroscopic solid that deliquesces rapidly in air. Commercially available are colorless aqueous phosphoric acid solutions of varying concentrations up to approximately 90%. The more concentrated acid is viscous to syrupy. The data in the following table refer to the solid form unless otherwise stated.

solubility:
+ Mixable with water, soluble in alcohol.
  partition coefficient logP = -2.15.
melting point
42.35 °C
decomposition temperature
213 °C
density
1.834 g cm-3 at 20 °C
pKa value
pK1a = 2.161

pK2a = 7.207

pK3a = 12.325
vapor pressure
3.8 Pa at 20 °C
viscosity
147 cP
refractive index
nD = 1.4320 at 25 °C (85 %)

nD = 1.3420 at 25 °C (8.8 %)
standard enthalpy of formation
-1271.7 kJ/mol at 25 °C [s]
standard entropie
150.8 J/(mol K)
Gibbs free energy
-1123.6 kJ/mol
heat capacity
145.0 J/(mol K)
magnetic susceptibility χ
-43.8 × 10-6 cm3 mol-1

 

Spectroscopic data:

SPLASH (mass spectra)
splash10-0002-0794000000-6c866e626b9356994d46
splash10-0002-0394000000-3a469377821d88bd699f
splash10-0002-9000000000-6f386712e664a4b37a0f
splash10-0002-9000000000-94c04c712e24776fb333
MoNA Mass Bank of North America (mass spectrum)
NBIIXXVUZAFLBC-UHFFFAOYSA-N
SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)
JspYSc82ipf
Human Metabolome Database (GC-MS, LC-MS/MS spectra, NMR)
HMDB0001429

 

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound Phosphoric Acid - H3O4P - calculated based on molecular mass.

Symbol
Element E
Number x
of atoms Ex
Data of the element
and isotopes *
Percentages
of isotopes
Percentage of
Ex in formula mass
H
Hydrogen
3 Ar = 1.008 u
ΣAr = 3.024 u
3H: 3.01605 u [<< 1 %]
1H: 1.00783 u [99,99 %]
2H: 2.0141 u [0,01 %]
 
3H: trace
1H: 3.0856 %
2H: 0.00031 %
3.0859 %O
Oxygen
4 Ar = 15.999 u
ΣAr = 63.996 u
16O: 15.99491 u [99,757 %]
17O: 16.99913 u [0,03835 %]
18O: 17.99916 u [0,205 %]
 
16O: 65.1475 %
17O: 0.02504 %
18O: 0.13388 %
65.3062 %P
Phosphorus
1ΣAr = 30.973761998 u
31P: 30.97376 u [100 %]
 
31P: 31.60789 %
31.6079 %

*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.

 

More calculated data

The molar mass is M = 97.993761998 grams per mole.

The amount of substance in one kilogram of the substance is n = 10.205 mol.

The amount of substance in one gram of the substance is n = 0.01 mol.

Monoisotopic mass: 97.9768955703 Da - related to 1H316O431P.

 

Use in food

E-Nummer: E338

The food industry uses diluted phosphoric acid as a food additive with the E number E338 as a preservative, acidifier, acidity regulator and antioxidant to inhibit the rancidification of fats and the discoloration of meat, sausage or cake fillings.

EU: Status and regulations see EU Food Additives DB Ref. Number 3107.

 

Use in Cosmetics

INCI Name: PHOSPHORIC ACID

Phosphoric acid is an ingredient in cosmetic products, functioning as a buffering component.

Source: CosIng (Cosmetic Ingredient Database) number: 36546.

 

Hazard warnings according to GHS

(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.

Signal word: Danger

GHS hazard statements (H phrases):


H290
May be corrosive to metals

H302
Harmful if swallowed

H314
Causes severe skin burns and eye damage

LD50 (rat, oral): 1530 mg/kg.


Labeling in the EU: See ECHA Substance Infocard 100.028.758.

For toxicology and occupational safety when handling Phosphoric Acid as well as measures to be taken in case of danger, see: Hazardous Substances Information System GESTIS, ZVG-Nr. 001800.

International Chemical Safety Card ICSC (SDS, MSDS): See ICSC: 1008.


Note: The labeling requirement according to the CLP Regulation (EU) does not apply, among other things, to certain substances and mixtures for end users that are in the form of finished products, such as pharmaceuticals, veterinary drugs, cosmetics, certain medical products and medical devices, food or feed, as well as certain Food additives or flavorings. Special legal regulations may need to be adhered to here.

 

External Sources

PubChem:ID 1004ChemSpider:ID 979Kegg database DBGET:ID D05467UNII of the FDA (USA):Unique Ingredient Identifier E4GA8884NNEPA CompTox Chemicals Dashboard:DTXSID5024263NCI Thesaurus:C47670 (active ingredient description)Other CAS RN:178560-73-1; 28602-75-7; 1021417-41-3; 1053657-23-0; 1196963-54-8; 959699-83-3; 1643589-98-3; 2055242-58-3 (also used, outdated or deleted registration numbers)

 

Manufacturers and Sources of Supply

The table below lists producers and suppliers of Phosphoric Acid as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

 

Literature Sources

[0] - Specialist and research articles in scientific journals via PubMed: Phosphoric_Acid.

 


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Last update: 2025-12-28


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