ContaminantDB: Basic beryllium acetate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (3)XML

Record Information

Version

1.0

Creation Date

2009-03-21 00:41:33 UTC

Update Date

2016-11-09 01:08:18 UTC

Accession Number

CHEM000567

Identification

Common Name

Basic beryllium acetate

Class

Small Molecule

Description

Basic beryllium acetate is a chemical compound of beryllium. Beryllium is a lightweight alkaline earth metal with the atomic number 4. It is a relatively rare element found naturally only combined with other elements in minerals. (3)

Contaminant Sources

IARC Carcinogens Group 1
T3DB toxins

Contaminant Type

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

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Basic beryllium acetic acid	Generator

Chemical Formula

C₁₂H₁₈Be₄O₁₃

Average Molecular Mass

406.312 g/mol

Monoisotopic Mass

406.123 g/mol

CAS Registry Number

19049-40-2

IUPAC Name

tetraberyllium(2+) ion hexaacetate oxidandiide

Traditional Name

tetraberyllium(2+) ion hexaacetate oxidandiide

SMILES

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

InChI Identifier

InChI=1S/6C2H4O2.4Be.O/c6*1-2(3)4;;;;;/h6*1H3,(H,3,4);;;;;/q;;;;;;4*+2;-2/p-6

InChI Key

RKARILOACIIVIJ-UHFFFAOYSA-H

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 beryllium salt
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

Cytoplasm
Extracellular

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

No data.

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	40.1 g/L	ALOGPS
logP	0.38	ALOGPS
logP	-0.22	ChemAxon
logS	-0.5	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

Not Available

Mechanism of Toxicity

Once in the body, beryllium acts as a hapten and interacts with human leucocyte antigen (HLA) DP presenting cells in the lungs, becoming physically associated with a major histocompatability (MHC) class II molecule. This MHC class II-beryllium-peptide complex is recognized by the T lymphocyte receptor, triggering CD4+ T lymphocyte activation and proliferation. The resulting inflammatory response is a cell-mediated process orchestrated by cytokines and results in the formation of (usually pulmonary) granulomas. Beryllium's toxicity may be controlled by the iron-storage protein ferritin, which sequesters beryllium by binding it and preventing it from interacting with other enzymes. (4, 1, 2)

Metabolism

Beryllium is absorbed mainly through the lungs, where it enters the bloodstream and is transported throughout the body by binding to prealbumins and gamma-globulins. Beryllium accumulates in lung tissue and the skeleton. It is excreted mainly in the urine. (4)

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

1, carcinogenic to humans. (6)

Uses/Sources

Beryllium foil is used in x-ray lithography for making integrated circuits. It is used as a reflector or moderator in nuclear reactions. Beryllium is used in gyroscopes and computer parts (7).

Minimum Risk Level

Chronic Oral: 0.002 mg/kg/day (5)

Health Effects

Acute inhalation of a high level of beryllium can result in a pneumonia-like condition called acute beryllium disease. Chronic inhalation of beryllium can cause an inflammatory reaction in the respiratory system called chronic beryllium disease. Chronic beryllium disease may result in anorexia and weight loss, as well as right side heart enlargement and heart disease in advanced cases. Chronic exposure can also increase the risk of lung cancer. Skin contact with beryllium results in contact dermatitus. (3, 4)

Symptoms

Chronic beryllium disease causes fatigue, weakness, difficulty breathing, and a persistent dry cough. (3, 4)

Treatment

Chronic beryllium disease is treated with immunosuppressive medicines, usually of the glucocorticoid class. (3)

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

Basic beryllium acetate

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

3035396

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

Basic beryllium acetate (CHEM000567)

Structure for CHEM000567: Basic beryllium acetate