Names and identifiers
- IUPAC name
- sodium acetate
- Synonyms
- E262, Acetic acid, sodium salt, Sodium acetate anhydrous
+ 37 more
Sodium acetate, anhydrous, Anhydrous sodium acetate, Sodium ethanoate, Sodii acetas, Natrium aceticum, FEMA No. 3024, Natriumacetat, Octan sodny, FEMA Number 3024, Acetic acid, sodium salt (1:1), Sodium acetate,anhydrous, DTXSID2027044, NVG71ZZ7P0, Sodium acetate (3h2o), NSC-77459, DTXCID507044, INS NO.262(I), CHEBI:32954, INS-262(I), E-262(I), 204-823-8, NSC77459, Natrum Aceticum, RefChem:6683, Monosodium acetate trihydrate, DTXSID90893049, Sodium Acetate Injection, USP, 200 mEq/100 mL, Sodium Acetate Injection, USP, 400 mEq/100 mL, 4550K0SC9B, Sodium Acetate Hydrate, Acetic acid sodium salt, Sodium;acetate, NaOAc, C2H3NaO2, MFCD00012459, Sodium acetate-18O2, ACETIC ACID, SODIUM SALT, [3H]
- Molecular formula
- C2H3NaO2
- Empirical formula
- C2H3NaO2
- Molecular weight
- 82.03 g/mol
- Exact mass
- 82.00307
- CAS number
- 127-09-3
- PubChem CID
- 517045
- Canonical SMILES
- CC(=O)[O-].[Na+]
- Isomeric SMILES
- CC(=O)[O-].[Na+]
- InChI
- InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
- InChIKey
- VMHLLURERBWHNL-UHFFFAOYSA-M
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Physical properties
- Appearance
- Colorless[3]
3 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source – Other Solid; Dry Powder; Large Crystals; Liquid; Other Solid; Liquid [1] EPA Chemical Data Reporting (CDR) – WHITE HYGROSCOPIC CRYSTALLINE POWDER. [2] ILO-WHO International Chemical Safety Cards (ICSCs) –shown Colorless [3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 1047 - Odor
- Odorless[3]
- Melting point
- 328.2 °C[4]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source 328 °C 328 °C [2] ILO-WHO International Chemical Safety Cards (ICSCs) 328.2 °Cshown 328.2 °C [4] PAC Chemical Database, U.S. Department of Energy - Density
- 1.528 @25 °C[4]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source – 1.5 g/cm³ [2] ILO-WHO International Chemical Safety Cards (ICSCs) –shown 1.528 @25 °C [4] PAC Chemical Database, U.S. Department of Energy - Solubility in water
- Solubility in water, g/100ml at 20 °C: 46.5[2]
- Autoignition temperature
- 607 °C (1125 °F, SODIUM ACETATE TRIHYDRATE)[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source 607 °Cshown 1125 °F /SODIUM ACETATE TRIHYDRATE/ [3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 1047 607 °C 607 °C [2] 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)
- 0.5
- H-bond donors
- 0
- H-bond acceptors
- 2
- Rotatable bonds
- 0
- TPSA (Ų)
- 40.1
- Formal charge
- 0
- Complexity
- 34 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
- C29.28%
- H3.69%
- Na28.02%
- O39.01%
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
- -4.24 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- 2.32 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 3.82 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 82.03
- log P ≤ 5 (Crippen): -4.24
- H-bond donors ≤ 5: 0
- 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 95.4% (1320 of 1383) of all reports.[5]
First aid
Storage
- Dry. Separated from strong acids and strong oxidants.[2]
Incompatibilities
- Violent reaction with flourine and potassium nitrate, diketene.[3]
Safety data sheets on the supplier’s page: Sigma-Aldrich, Protheragen, Thermo Fisher Scientific.
Always read the supplier’s safety data sheet before working with it.
Spectra
- 1H NMRSpectraBase (Varian A-60)
- 13C NMRSpectraBase
- 17O NMRSpectraBase
- FTIRSpectraBase (KBr WAFER)
- ATR-IRSpectraBase (Bruker Tensor 27 FT-IR · ATR-Neat (DuraSamplIR II))
- RamanSpectraBase (Bruker MultiRAM Stand Alone FT-Raman Spectrometer · FT-Raman)
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]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
- [2]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [3]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
- [4]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
- [5]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
- [6]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.