ChemFOnt: Showing chemical card for Sodium acetate (CFc000283056)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 03:35:58 UTC

Chemfont ID

CFc000283056

Molecule Identification

Common Name

Sodium acetate

Definition

Food additive. Flavouring agent; pH control agent. Sodium acetate, (also sodium ethanoate) is the sodium salt of acetic acid. It is an inexpensive chemical produced in industrial quantities for a wide range of uses.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Acetic acid, sodium salt	ChEBI
Anhydrous sodium acetate	ChEBI
Natriumazetat	ChEBI
Sodium acetate anhydrous	ChEBI
Acetate, sodium salt	Generator
Anhydrous sodium acetic acid	Generator
Sodium acetic acid anhydrous	Generator
Sodium acetic acid	Generator

Chemical Formula

C₂H₃NaO₂

Average Molecular Weight

82.0338

Monoisotopic Molecular Weight

82.003074015

IUPAC Name

sodium acetate

Traditional Name

sodium acetate

CAS Registry Number

127-09-3

SMILES

[Na+].CC([O-])=O

InChI Identifier

InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1

InChI Key

VMHLLURERBWHNL-UHFFFAOYSA-M

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acetate salts. These are organic compounds containing acetic acid as its acid component.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acid derivatives

Direct Parent

Acetate salts

Alternative Parents

Substituents

Acetate salt
Organic alkali metal salt
Monocarboxylic acid or derivatives
Carboxylic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic sodium salt
Organic salt
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

organic sodium salt (CHEBI:32954 )

Functional Ontology

Physiological effect

Organoleptic effect

Odor

Odorless

Disposition

Source

Exogenous

Exogenous (HMDB: HMDB0303540)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	429 g/L	ALOGPS
logP	-0.2	ALOGPS
logP	-0.22	ChemAxon
logS	0.72	ALOGPS
pKa (Strongest Acidic)	4.54	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	40.13 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	23.48 m³·mol⁻¹	ChemAxon
Polarizability	4.96 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon