ContaminantDB: Cadmium acetate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (19)XML

Record Information

Version

1.0

Creation Date

2009-03-06 18:58:37 UTC

Update Date

2026-04-06 01:00:21 UTC

Accession Number

CHEM000311

Identification

Common Name

Cadmium acetate

Class

Small Molecule

Description

Cadmium acetate Cd(CH3CO2)2 is a chemical compound of cadmium. This colourless solid is classified coordination polymer, featuring acetate ligands interconnecting cadmium centers. The compound exists in anhydrous form and as a dihydrate. It forms by treating cadmium oxide with acetic acid. It is used for glazing ceramics and pottery, in electroplating baths, in dyeing and printing textiles, and as an analytic reagent for sulfur, selenium and tellurium. Cadmium is a transition metal and chemical element with the symbol Cd and atomic number 48. It is found naturally in the earth's crust, though rarely on it's own. (4, 10)

Contaminant Sources

Clean Air Act Chemicals
IARC Carcinogens Group 1
T3DB toxins

Contaminant Type

Cadmium Compound
Industrial/Workplace Toxin
Organic Compound
Organometallic
Pollutant
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Cadmium acetic acid	Generator
Cadmium acetate, trihydrate	MeSH
Cadmium acetate, dihydrate	MeSH

Chemical Formula

C₄H₆CdO₄

Average Molecular Mass

230.499 g/mol

Monoisotopic Mass

231.930 g/mol

CAS Registry Number

543-90-8

IUPAC Name

(acetyloxy)cadmio acetate

Traditional Name

cadmium acetate

SMILES

CC(=O)O[Cd]OC(C)=O

InChI Identifier

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

InChI Key

LHQLJMJLROMYRN-UHFFFAOYSA-L

Chemical Taxonomy

Description

belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acids

Direct Parent

Carboxylic acids

Alternative Parents

Substituents

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

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Caveolae
Cell surface
Cytoplasm
Cytoskeleton
Cytosol
Endoplasmic reticulum
Endosome
Extracellular
Extracellular matrix
Golgi apparatus
Lysosome
Microsome
Microtubule
Mitochondrial Membrane
Mitochondrion
Nuclear Membrane
Nucleolus
Peroxisome
Plasma Membrane
Ribosome
Secretory Granule
Tubulin

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB Link	KEGG Link
Apoptosis	Not Available	map04210
Cell cycle	Not Available	map04110
Endocytosis	Not Available	map04144
Ovarian Steroidogenesis	Not Available	Not Available
Nucleotide Excision Repair	SMP00478	map03420
Fatty Acid Biosynthesis	SMP00456	map00061
Two Component System	Not Available	Not Available
Spliceosome	Not Available	map03040
Mismatch repair	Not Available	map03430
Dna replication	Not Available	map03030

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

Colorless crystals.

Experimental Properties

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

Predicted Properties

Property	Value	Source
Water Solubility	72.9 g/L	ALOGPS
logP	0.06	ALOGPS
logP	-0.68	ChemAxon
logS	-0.5	ALOGPS
pKa (Strongest Basic)	-6.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	52.6 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	23.43 m³·mol⁻¹	ChemAxon
Polarizability	12.22 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

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-2290000000-1b3f5fdac43a18843a42	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-008c-1960000000-5eb717cff7b1c0a99909	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-9100000000-f72ceace76eee973326a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-0290000000-43c0dbdea87c6ca5515e	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-053r-7190000000-1b888bd6c5ec66798343	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-9210000000-1f8152c728c835950d79	Spectrum

Toxicity Profile

Route of Exposure

Oral (4) ; inhalation (4) ; dermal (4)

Mechanism of Toxicity

Cadmium initially binds to metallothionein and is transported to the kidney. Toxic effects are observed once the concentration of cadmium exceeds that of available metallothionein, and it has also been shown that the cadmium-metallothionein complex may be damaging. Accumulation of cadmium in the kidney results in increased excretion of vital low and high weight molecular proteins. Cadmium is a high affinity zinc analog and can interfere in its biological processes. It also binds to and activates the estrogen receptor, likely stimulating the growth of certain types of cancer cells and causing other estrogenic effects, such as reproductive dysfunction. Cadmium causes cell apoptosis by activating mitogen-activated protein kinases. (5, 1, 2, 3)

Metabolism

Cadmium is absorbed from oral, inhalation, and dermal routes. Cadmium initially binds to metallothionein and albumin and is transported mainly to the kidney and liver. Toxic effects are observed once the concentration of cadmium exceeds that of available metallothionein, and it has also been shown that the cadmium-metallothionein complex may be damaging. Cadmium is not known to undergo any direct metabolic conversion and is excreted unchanged, mainly in the urine. (4)

Toxicity Values

LD50: 225 mg/kg (Oral, Rat) (11) LD50: 14 mg/kg (Intraperitoneal, Mouse) (12)

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

1, carcinogenic to humans. (8)

Uses/Sources

Cadmium acetate is used for glazing ceramics and pottery, in electroplating baths, in dyeing and printing textiles, and as an analytic reagent for sulfur, selenium and tellurium. (10)

Minimum Risk Level

Acute Inhalation: 0.00003 mg/m3 (7) Chronic Inhalation: 0.00001 mg/m3 (7) Intermediate Oral: 0.0005 mg/kg/day (7) Chronic Oral: 0.0001 mg/kg/day (7)

Health Effects

Chronic exposure to cadmium fumes can cause chemical pneumonitis, pulmonary edema, and lung diseases such as bronchitis and emphysema. Cadmium also accumulates in the kidneys, causing permanent damage. Loss of bone density also occurs. (4)

Symptoms

Acute inhalation of cadmium fumes results in metal fume fever, which is characterized by chills, fever, headache, weakness, dryness of the nose and throat, chest pain, and coughing. Ingestion of cadmium causes vomiting and diarrhea. (4)

Treatment

Cadmium poisoning is treated by removal from exposure and supportive care. If ingested, induced vomiting or gastric lavage may be performed. (9)

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

Cadmium acetate

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

10986

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Cadmium acetate (CHEM000311)

Structure for CHEM000311: Cadmium acetate