ContaminantDB: Cobalt(II) acetate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (35)XML

Record Information

Version

1.0

Creation Date

2009-03-22 00:31:01 UTC

Update Date

2026-04-05 19:22:50 UTC

Accession Number

CHEM000582

Identification

Common Name

Cobalt(II) acetate

Class

Small Molecule

Description

Cobalt(II) acetate is a chemical compound of cobalt. Cobalt(II) acetate is the cobalt(II) salt of acetic acid. It may also be found as the tetrahydrate. Cobalt is a metallic element with the atomic number 27. It is found naturally in rocks, soil, water, plants, and animals. In small amounts cobalt is an essential element for life, as it is part of vitamin B12. However, excess exposure is known to exhibit toxic effects. (4, 5)

Contaminant Sources

HPV EPA Chemicals
IARC Carcinogens Group 2B
OECD HPV Chemicals
T3DB toxins
ToxCast & Tox21 Chemicals

Contaminant Type

Cobalt Compound
Household Toxin
Industrial/Workplace Toxin
Organic Compound
Organometallic
Pollutant
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Acetic acid, cobalt(2+) salt	ChEBI
Acetic acid, cobalt(2+) salt (2:1)	ChEBI
Bis(acetato)cobalt	ChEBI
Cobalt diacetate	ChEBI
Cobalt(2+) acetate	ChEBI
Cobaltous acetate	ChEBI
Cobaltous diacetate	ChEBI
Acetate, cobalt(2+) salt	Generator
Acetate, cobalt(2+) salt (2:1)	Generator
Cobalt diacetic acid	Generator
Cobalt(2+) acetic acid	Generator
Cobaltous acetic acid	Generator
Cobaltous diacetic acid	Generator
Cobalt(II) acetic acid	Generator

Chemical Formula

C₄H₆CoO₄

Average Molecular Mass

177.021 g/mol

Monoisotopic Mass

176.960 g/mol

CAS Registry Number

71-48-7

IUPAC Name

λ²-cobalt(2+) ion diacetate

Traditional Name

λ²-cobalt(2+) ion diacetate

SMILES

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

InChI Identifier

InChI=1S/2C2H4O2.Co/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2

InChI Key

QAHREYKOYSIQPH-UHFFFAOYSA-L

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 transition metal salt
Monocarboxylic acid or derivatives
Carboxylic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic cobalt salt
Organic salt
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Not Available

External Descriptors

copper salt (CHEBI:85138 )
acetate salt (CHEBI:85138 )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Caveolae
Cytoplasm
Early endosome
Endocytic Vesicle
Endoplasmic reticulum
Extracellular
Lysosome
Mitochondrion
Peroxisome
Ribosome

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB Link	KEGG Link
Protein Export	Not Available	Not Available
Proteasome	Not Available	Not Available
Pentose Phosphate Pathway	SMP00031	map00030
Long-term potentiation	Not Available	map04720
Biosynthesis Of Amino Acids	Not Available	Not Available
Abc transporters	Not Available	map02010
Apoptosis	Not Available	map04210

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

Pink solid.

Experimental Properties

Property	Value
Melting Point	16.6°C
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	45.8 g/L	ALOGPS
logP	0.22	ALOGPS
logP	-0.22	ChemAxon
logS	-0.59	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	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Toxicity Profile

Route of Exposure

Inhalational (4) ; oral (4) ; dermal (4)

Mechanism of Toxicity

Cobalt is believed to exhibit its toxicity through a oxidant-based and free radical-based processes. It produces oxygen radicals and may be oxidized to ionic cobalt, causing increased lipid peroxidation, DNA damage, and inducing certain enzymes that lead to cell apoptosis. Cobalt has also been shown to block inorganic calcium channels, possibly impairing neurotransmission. Cobalt can also chelate lipoic acids, impairing oxidation of pyruvate or fatty acids. In addition, cobalt may inhibit DNA repair by interacting with zinc finger DNA repair proteins, and has also been shown to inhibit heme synthesis and glucose metabolism. Cobalt may activate specific helper T-lymphocyte cells and interact directly with immunologic proteins, such as antibodies (IgA and IgE) or Fc receptors, resulting in immunosensitization. (4)

Metabolism

Cobalt is absorbed though the lungs, gastrointestinal tract, and skin. Since it is a component of the vitamin B12 (cyanocobalamin), it is distributed to most tissues of the body. It is transported in the blood, often bound to albumin, with the highest levels being found in the liver and kidney. Cobalt is excreted mainly in the urine and faeces. (4)

Toxicity Values

LD50: 503 mg/kg (Oral, Rat) (2) LD50: 25 mg/kg (Intravenous, Rabbit) (9)

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

2B, possibly carcinogenic to humans. (7)

Uses/Sources

Cobalt (II) acetate can be used as antidote for cyanide poisoning. Major used include: foam stabilizer for malt beverages; bleaching agent and drier for lacquers, varnishes; anodizing agent; catalyst for oxidation and esterification (3, 10).

Minimum Risk Level

Chronic Inhalation: 0.0001 mg/m3 (6) Intermediate Oral: 0.01 mg/kg/day (6)

Health Effects

Exposure to high amount of cobalt can cause heart, lung, kidney, and liver damage. Skin contact is known to result in contact dermatitis. Cobalt may also have mutagenic and carcinogenic effects. (4, 5)

Symptoms

Cobalt inhalation can cause asthma-like breathing problems. Skin contact is known to result in contact dermatitis, which is characterized by irritation and rashes. Ingesting large amounts of cobalt may cause nausea and vomiting. (8)

Treatment

Treatment of cobalt poisoning is symptomatic. (4)

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Cobalt(II)_acetate

Chemspider ID

Not Available

ChEBI ID

85138

PubChem Compound ID

6277

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

1. https://www.ncbi.nlm.nih.gov/pubmed/?term=25042713

2. https://www.ncbi.nlm.nih.gov/pubmed/?term=3437779

3. https://www.ncbi.nlm.nih.gov/pubmed/?term=4723783

Cobalt(II) acetate (CHEM000582)

Structure for CHEM000582: Cobalt(II) acetate