Sodium bicarbonate

Athanor · official

CHNaO₃ · 84.007 g/mol

IUPAC name: sodium hydrogen carbonate

Also called baking soda, bicarbonate of soda, E500, NaHCO3

Inorganic

Open in Athanor

Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name: sodium hydrogen carbonate
Synonyms: baking soda, bicarbonate of soda, E500
+ 37 more
NaHCO3, Sodium hydrogen carbonate, Baking soda, Sodium hydrogencarbonate, Sodium acid carbonate, Bicarbonate of soda, Carbonic acid monosodium salt, Meylon, Neut, Col-evac, Monosodium carbonate, Natriumhydrogenkarbonat, Sel De vichy, Natrum bicarbonicum, Natrium bicarbonicum, Jusonin, Soludal, Natrii hydrogencarbonas, Soda Mint, Monosodium hydrogen carbonate, Natrium hydrogencarbonicum, Nabic, Carbonic acid sodium salt (1:1), Sodium carbonate (Na(HCO3)), Hydrocerol esc 5671, Sodium bicarbonate in plastic container, Genitron tp-bch 51051, Sodium bicarbonate anhydrous, 8MDF5V39QO, INS NO.500(II), DTXSID9021269, INS-500(II), Natrii hydrogenocarbonas, E-500(II), NSC-134031, CHEBI:32139, MultiBic component sodium hydrogen carbonate
Molecular formula: CHNaO₃
Empirical formula: CHNaO₃
Molecular weight: 84.007 g/mol
Exact mass: 83.98234
CAS number: 144-55-8
PubChem CID: 516892
Canonical SMILES: C(=O)(O)[O-].[Na+]
Isomeric SMILES: C(=O)(O)[O-].[Na+]
InChI: InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1
InChIKey: UIIMBOGNXHQVGW-UHFFFAOYSA-M
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Appearance: White powder or crystalline lumps[4]
4 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Sodium bicarbonate appears as odorless white crystalline powder or lumps. Slightly alkaline (bitter) taste. pH (of freshly prepared 0.1 molar aqueous solution): 8.3 at 77 °F. pH (of saturated solution): 8-9. Non-toxic. [1] CAMEO Chemicals
– Other Solid; Dry Powder; CBI; Large Crystals; Dry Powder; Other Solid; Liquid; Other Solid; Liquid [2] EPA Chemical Data Reporting (CDR)
– FINE WHITE CRYSTALLINE POWDER. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown White powder or crystalline lumps [4] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 1234
Odor: Odorless[4]
Melting point: Reported, but no value passed the checks.
The value and why
Decomposes at 228 °F (NTP, 1992) (could not be read; source [1])
Density: 2.159 (NTP, 1992) - Denser than water[1]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
–shown 2.159 (NTP, 1992) - Denser than water [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
– 2.1 g/cm³ [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 2.2 @25 °C [5] PAC Chemical Database, U.S. Department of Energy
Solubility in water: Solubility in water, g/100ml at 20 °C: 9.3[3]
3 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– 1 in 10 % at 77 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
– Solubility in water = 6.4, 7.6, 8.7, 10.0, 11.3, 12.7, 14.2, 16.5, and 19.1 g/100g solution at 0, 10, 20, 30, 40, 50, 60, 80, and 100 °C, respectively; Solubility in water = 6.9, 8.2, 9.6, 11.1, 12.7, 14.5, 16.5, 19.7, and 23.6 g/100g H2O at 0, 10, 20, 30, 40, 50, 60, 80, and 100 °C, respectively. Solubility is lower in the presence of sodium carbonate [4] Hazardous Substances Data Bank (HSDB)cites Thieme C; Sodium Carbonates. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2017). New York, NY: John Wiley & Sons. Online Posting Date: 15 Jun 2000
–shown Solubility in water, g/100ml at 20 °C: 9.3 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Refractive index: Reported, but no value passed the checks.
The value and why
Refractive indices: 1.380, 1.500, 1.586 (could not be read; source [4])

Value	As written	Source
–	Sodium bicarbonate appears as odorless white crystalline powder or lumps. Slightly alkaline (bitter) taste. pH (of freshly prepared 0.1 molar aqueous solution): 8.3 at 77 °F. pH (of saturated solution): 8-9. Non-toxic.	[1] CAMEO Chemicals
–	Other Solid; Dry Powder; CBI; Large Crystals; Dry Powder; Other Solid; Liquid; Other Solid; Liquid	[2] EPA Chemical Data Reporting (CDR)
–	FINE WHITE CRYSTALLINE POWDER.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown	White powder or crystalline lumps	[4] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 1234

Value	As written	Source
–shown	2.159 (NTP, 1992) - Denser than water	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–	2.1 g/cm³	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	2.2 @25 °C	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–	1 in 10 % at 77 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–	Solubility in water = 6.4, 7.6, 8.7, 10.0, 11.3, 12.7, 14.2, 16.5, and 19.1 g/100g solution at 0, 10, 20, 30, 40, 50, 60, 80, and 100 °C, respectively; Solubility in water = 6.9, 8.2, 9.6, 11.1, 12.7, 14.5, 16.5, 19.7, and 23.6 g/100g H2O at 0, 10, 20, 30, 40, 50, 60, 80, and 100 °C, respectively. Solubility is lower in the presence of sodium carbonate	[4] Hazardous Substances Data Bank (HSDB)cites Thieme C; Sodium Carbonates. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2017). New York, NY: John Wiley & Sons. Online Posting Date: 15 Jun 2000
–shown	Solubility in water, g/100ml at 20 °C: 9.3	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 5
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0
H-bond donors: 1
H-bond acceptors: 2 computed here · PubChem 3
Rotatable bonds: 0
TPSA (Å²): 60.4
Formal charge: 0
Complexity: 33 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: Cs of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C14.30%
H1.20%
Na27.37%
O57.14%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: -4.11 Crippen (Wildman and Crippen 1999)
log S (water solubility): 2.23 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 3.85 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 84.01
log P ≤ 5 (Crippen): -4.11
H-bond donors ≤ 5: 1
H-bond acceptors ≤ 10: 2

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

This chemical does not meet GHS hazard criteria for 99.4% (6796 of 6838) of all reports.[6]

First aid

Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]
Fresh air.[3]
Rinse with plenty of water (remove contact lenses if easily possible).[3]
Give one or two glasses of water to drink.[3]

Storage

Separated from incompatible materials. See Chemical Dangers.[3]
Keep container tightly closed in a dry and well-ventilated place. Keep in a dry place.[4]
Sodium bicarbonate tablets and effervescent tablets should be stored in tightly closed containers at a temperature less than 40 °C, preferably between 15-30 °C. Sodium bicarbonate injection should be stored at a temperature less than 40 °C, preferably between 15-30 °C; freezing should be avoided.[4]
(stored) separated from acids.[4]

Incompatibilities

Incompatible materials: Strong acids, strong oxidizing agents.[4]
A mixture (of sodium hydrogen carbonate, carbon and water) was being stirred and steam heated when power failure interrupted stirring, and heating was turned off for a hour before power was restored. When stirring was restarted, the hot contents of the pan erupted immediately. Carbon dioxide is evolved from warm aqueous solutions of the base, and absence of stirring and presence of the carbon adsorbent would lead to non-equilibrium retention of the gas, which would be released instantaneously on stirring.[4]
Several cases of spontaneous ignition after exposure to air of fine coke particles removed from filter strainers on a petroleum refinery furfural extraction unit have been noted. This has been associated with the use of sodium hydrogen carbonate (bicarbonate) injected into the plant for pH control, which produced a pH of 10.5 locally. This would tend to resinify the aldehyde, but there is also the possibility of a Cannizzaro reaction causing conversion of the aldehyde to furfuryl alcohol and furoic acid.[4]
A self-propagating reaction can occur when ... Sodium bicarbonate- ... Based dry chemical extinguishing agent is mixed with monoammonium phosphate dry chemical extinguishing agent. Moisture will accelerate reaction. Products are water, ammonia, carbon dioxide and various solid substances. In a fire extinguisher the pressure developed will blow out the valve.[4]

Safety data sheets on the supplier’s page: Thermo Fisher Scientific, Strem Chemicals, Inc., Oakwood Products.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[4]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[5]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[6]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[7]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.