Record Information
Version1.0
Creation Date2009-03-23 00:28:30 UTC
Update Date2016-11-09 01:08:19 UTC
Accession NumberCHEM000611
Identification
Common NameNickel acetate
ClassSmall Molecule
DescriptionNickel acetate is a chemical compound of nickel. Nickel is a chemical compound with the atomic number 28. It is found abundantly in nature in laterite ore minerals, such as limonite, garnierite, and pentlandite. Nickel has a biological role and is found in certain enzymes, including urease, hydrogenase, methylcoenzyme M reductase, and carbon monoxide dehydrogenase. (2, 3)
Contaminant Sources
  • HPV EPA Chemicals
  • IARC Carcinogens Group 1
  • T3DB toxins
Contaminant Type
  • Industrial/Workplace Toxin
  • Nickel Compound
  • Organic Compound
  • Organometallic
  • Pollutant
  • Synthetic Compound
Chemical Structure
Thumb
Synonyms
ValueSource
Nickel acetic acidGenerator
Chemical FormulaC4H14NiO8
Average Molecular Mass248.843 g/mol
Monoisotopic Mass248.004 g/mol
CAS Registry Number373-02-4
IUPAC Name(acetyloxy)nickelio acetate tetrahydrate
Traditional Namenickel acetate tetrahydrate
SMILESO.O.O.O.CC(=O)O[Ni]OC(C)=O
InChI IdentifierInChI=1S/2C2H4O2.Ni.4H2O/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2
InChI KeyOINIXPNQKAZCRL-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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acids
Direct ParentCarboxylic 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 FrameworkNot Available
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Acrosome
  • Actin Cytoskeleton
  • Actin Filament
  • Apical Membrane
  • Axoneme
  • Basolateral Membrane
  • Caveolae
  • Cell junction
  • Cell surface
  • Centriole
  • Centrosome
  • Clathrin Coated Vesicle
  • Cytoplasm
  • Cytoplasmic vesicle
  • Cytoskeleton
  • Cytosol
  • Early endosome
  • Endoplasmic reticulum
  • Endosome
  • Extracellular
  • Extracellular matrix
  • Focal adhesion
  • Golgi apparatus
  • Intermediate Filament
  • Intracellular Vesicle
  • Kinetochore
  • Lysosome
  • Membrane Fraction
  • Microtubule
  • Mitochondrial Matrix
  • Mitochondrial Membrane
  • Mitochondrion
  • Nuclear Matrix
  • Nuclear Membrane
  • Nucleolus
  • Nucleoplasm
  • Perinuclear region
  • Peroxisomal Matrix
  • Peroxisomal Membrane
  • Peroxisome
  • Plasma Membrane
  • Ribosome
  • Secretory Granule
  • Synaptic Vesicle
  • Tubulin
Biofluid LocationsNot Available
Tissue LocationsNot Available
Pathways
NameSMPDB LinkKEGG Link
ApoptosisNot Availablemap04210
EndocytosisNot Availablemap04144
Cell cycleNot Availablemap04110
Dna replicationNot Availablemap03030
Homologous recombinationNot Availablemap03440
Rna polymeraseNot Availablemap03020
Base excision repairNot Availablemap03410
Arachidonic Acid MetabolismSMP00075 map00590
Abc transportersNot Availablemap02010
Wnt signaling pathwayNot Availablemap04310
Two Component SystemNot AvailableNot Available
Sulfur metabolismNot Availablemap00920
Rna transportNot Availablemap03013
Protein ExportNot AvailableNot Available
ProteasomeNot AvailableNot Available
PhagosomeNot Availablemap04145
Pentose Phosphate PathwaySMP00031 map00030
Oxidative phosphorylationNot Availablemap00190
Nucleotide Excision RepairSMP00478 map03420
Mismatch repairNot Availablemap03430
Long-term potentiationNot Availablemap04720
EicosanoidsNot AvailableNot Available
Biosynthesis Of Amino AcidsNot AvailableNot Available
Bacterial ChemotaxisNot AvailableNot Available
Antigen Processing And PresentationNot AvailableNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceGreen solid.
Experimental Properties
PropertyValue
Melting Point16.6°C
Boiling PointNot Available
Solubility166 mg/mL [MERCK INDEX (1996)]
Predicted Properties
PropertyValueSource
logP-0.86ChemAxon
pKa (Strongest Basic)-6.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area52.6 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity23.43 m³·mol⁻¹ChemAxon
Polarizability12.22 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
SpectraNot Available
Toxicity Profile
Route of ExposureInhalation (3) ; oral (3) ; dermal (3)
Mechanism of ToxicityNickel is known to substitute for other essential elements in certain enzmes, such as calcineurin. It is genotoxic, and some nickel compounds have been shown to promote cell proliferation. Nickel has a high affinity for chromatin proteins, particularly histones and protamines. The complexing of nickel ions with heterochromatin results in a number of alterations including condensation, DNA hypermethylation, gene silencing, and inhibition of histone acetylation, which have been shown to disturb gene expression. Nickel has also been shown to alter several transcription factors, including hypoxia-inducible transcription factor, activating transcription factor, and NF-KB transcription factor. There is also evidence that nickel ions inhibit DNA repair, either by directly inhibiting DNA repair enzymes or competing with zinc ions for binding to zinc-finger DNA binding proteins, resulting in structural changes in DNA that prevent repair enzymes from binding. Nickel ions can also complex with a number of cellular ligands including amino acids, peptides, and proteins resulting in the generation of oxygen radicals, which induce base damage, DNA strand breaks, and DNA protein crosslinks. (3, 1)
MetabolismNickel is absorbed mainly through the lungs and gastrointestinal tract. Once in the body it enters the bloodstream, where it binds to albumin, L-histidine, and _2-macroglobulin. Nickel tends to accumulate in the lungs, thyroid, kidney, heart, and liver. Absorbed nickel is excreted in the urine, wherease unabsorbed nickel is excreted in the faeces. (3)
Toxicity ValuesLD50: 350 mg/kg (Oral, Rat) (7)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)1, carcinogenic to humans. (6)
Uses/SourcesNot Available
Minimum Risk LevelChronic Inhalation: 0.0001 mg/m3 (5) Intermediate Oral: 0.01 mg/kg/day (5)
Health EffectsThe most common harmful health effect of nickel in humans is an allergic reaction. This usually manifests as a skin rash, although some people experience asthma attacks. Long term inhahation of nickel causes chronic bronchitis and reduced lung function, as well as damage to the naval cavity. Ingestion of excess nickel results in damage to the stomach, blood, liver, kidneys, and immune system, as well as having adverse effects on reproduction and development. (3)
SymptomsSymptoms of nickel poisoning include headache, nausea, vomiting, dizziness, irritability, and difficulty sleeping, followed by chest pains, sweating, rapid heart beat, and a dry cough. (4)
TreatmentExcess exposure to nickel is usually handled by preventing further exposure and symptomatic treatment. Nickel poisoning may also be treated using chelation therapy with sodium diethyldithiocarbamate. (4)
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNickel(II) acetate
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID62601
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available