Sodium acetate hydrate
PubChem CID
23681166
Structure
Molecular Formula
Synonyms
- Sodium acetate hydrate
- 41484-91-7
- Sodium acetate monohydrate
- sodium;acetate;hydrate
- 31304-44-6
Molecular Weight
100.05 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Component Compounds
Dates
- Create:2008-02-05
- Modify:2025-01-18
See also: Acetic acid, sodium salt, hydrate (annotation moved to).
Chemical Structure Depiction
Conformer generation is disallowed since MMFF94s unsupported element, mixture or salt
sodium;acetate;hydrate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C2H4O2.Na.H2O/c1-2(3)4;;/h1H3,(H,3,4);;1H2/q;+1;/p-1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
DGPIGKCOQYBCJH-UHFFFAOYSA-M
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(=O)[O-].O.[Na+]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C2H5NaO3
Computed by PubChem 2.2 (PubChem release 2021.10.14)
31304-44-6
- Sodium acetate hydrate
- 41484-91-7
- Sodium acetate monohydrate
- sodium;acetate;hydrate
- 31304-44-6
- ACETIC ACID, SODIUM SALT, MONOHYDRATE
- NaOAc water
- Water sodium acetate
- MFCD01672794
- NaOAc H2O
- NaOAc.H2O
- sodium hydroxide acetic acid
- DTXSID70185237
- sodium acetate hydrate (1:1:1)
- AKOS025295310
- Sodium acetate hydrate, 99.9985% (metals basis)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
100.05 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
100.01363830 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
100.01363830 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
41.1 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
6
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
34.6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Acetic acid, sodium salt, hydrate (annotation moved to)
EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Chemical: Sodium acetate hydrate
Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.
New Zealand EPA Inventory of Chemical Status
Acetic acid, sodium salt, monohydrate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=DGPIGKCOQYBCJH-UHFFFAOYSA-M
- ChemIDplusAcetic acid, sodium salt, monohydratehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0031304446ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxSodium acetate hydrate (1:1:1)https://comptox.epa.gov/dashboard/DTXSID70185237CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- New Zealand Environmental Protection Authority (EPA)LICENSEThis work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.https://www.epa.govt.nz/about-this-site/general-copyright-statement/Acetic acid, sodium salt, monohydratehttps://www.epa.govt.nz/industry-areas/hazardous-substances/guidance-for-importers-and-manufacturers/hazardous-substances-databases/
- EPA Safer ChoiceSodium acetate hydratehttps://www.epa.gov/saferchoice/safer-ingredientsEPA Safer Chemical Ingredients Classificationhttps://www.epa.gov/saferchoice
- Springer Nature
- WikidataSodium acetate hydrate (1:1:1)https://www.wikidata.org/wiki/Q81977228
- PubChem
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403402354https://pubchem.ncbi.nlm.nih.gov/substance/403402354
CONTENTS