Barium acetate
Overview
Description
Barium acetate is a chemical compound with the formula ( \text{Ba(C}_2\text{H}_3\text{O}_2\text{)}_2 ). It is the salt of barium (II) and acetic acid. This compound appears as a white solid and is known for its high solubility in water. This compound is toxic to humans and should be handled with care. It finds applications in various fields, including chemistry and manufacturing .
Scientific Research Applications
Barium acetate has several applications in scientific research:
Safety and Hazards
Future Directions
Mechanism of Action
Target of Action
Barium acetate is a salt of barium (II) and acetic acid .
Mode of Action
This compound, upon heating, decomposes to barium carbonate . It reacts with acids: reaction with sulfuric acid gives sulfate, hydrochloric acid gives chloride, and nitric acid gives nitrate .
Biochemical Pathways
Barium was never considered as an essential nutrient for humans, although it is undoubtedly naturally abundant enough and distinctive in its chemical properties that it might well have some biochemical function, eg, for regulatory purposes, both in animals and plants .
Pharmacokinetics
This compound is a white powder, which is highly soluble: at 0 °C, 55.8 g of this compound can be dissolved in 100 g of water . It decomposes upon heating into barium carbonate It is known to be toxic and hazardous upon ingestion .
Result of Action
Ingestion of this compound may cause tightness of the muscles of the face and neck, vomiting, diarrhea, abdominal pain, muscular tremors, anxiety, weakness, labored breathing, cardiac irregularity, convulsions, and death from cardiac and respiratory failure . The estimated lethal dose lies between 1 to 15 grams .
Action Environment
Environmental factors can influence the action, efficacy, and stability of this compound. For instance, the presence of barium in humans may produce several effects, especially among those chronically exposed from low to moderate doses . Barium accumulation can mainly occur by exposure in the workplace or from drinking contaminated water . This element is also assumed with the diet, mainly from plant foods .
Biochemical Analysis
Biochemical Properties
Barium acetate plays a role in biochemical reactions, particularly in the formation of urea this compound (UBA) crystals
Cellular Effects
Studies have shown that barium salts can cause significant changes in biochemical markers, including declines in glutathione peroxidase, catalase, superoxide dismutase, and urea, and elevations in malondialdehyde, lactate dehydrogenase, and creatine kinase levels .
Molecular Mechanism
It is known that this compound can interact with various biomolecules and may influence enzyme activity and gene expression .
Temporal Effects in Laboratory Settings
In laboratory settings, this compound has been observed to form crystals when the solution is slowly evaporated
Dosage Effects in Animal Models
The effects of different dosages of this compound in animal models have not been extensively studied. Studies on barium salts have shown that they can accumulate in soft tissues and cause changes in hematological and biochemical markers .
Preparation Methods
Synthetic Routes and Reaction Conditions: Barium acetate is typically synthesized through the reaction of acetic acid with barium carbonate: [ \text{BaCO}_3 + 2\text{CH}_3\text{COOH} \rightarrow (\text{CH}_3\text{COO})_2\text{Ba} + \text{CO}_2 + \text{H}_2\text{O} ] This reaction is performed in solution, and the this compound crystallizes out at temperatures above 41°C. Between 25°C and 40°C, the monohydrate version crystallizes .
Alternatively, barium sulfide can be used: [ \text{BaS} + 2\text{CH}_3\text{COOH} \rightarrow (\text{CH}_3\text{COO})_2\text{Ba} + \text{H}_2\text{S} ] The solvent is evaporated off, and the this compound crystallizes .
Industrial Production Methods: In industrial settings, this compound is produced by reacting industrial-grade barium carbonate with acetic acid. The process involves acetic acid reflux to decompose barium carbonate, followed by separation, impurity removal, refined filtration, evaporation, crystallization, and drying .
Types of Reactions:
Decomposition: When heated in air, this compound decomposes to form barium carbonate. [ (\text{CH}_3\text{COO})_2\text{Ba} \rightarrow \text{BaCO}_3 + \text{H}_2\text{O} ]
Reaction with Acids: this compound reacts with sulfuric acid, hydrochloric acid, and nitric acid to form barium sulfate, barium chloride, and barium nitrate, respectively. [ (\text{CH}_3\text{COO})_2\text{Ba} + \text{H}_2\text{SO}_4 \rightarrow \text{BaSO}_4 + 2\text{CH}_3\text{COOH} ] [ (\text{CH}_3\text{COO})_2\text{Ba} + 2\text{HCl} \rightarrow \text{BaCl}_2 + 2\text{CH}_3\text{COOH} ] [ (\text{CH}_3\text{COO})_2\text{Ba} + 2\text{HNO}_3 \rightarrow \text{Ba(NO}_3\text{)}_2 + 2\text{CH}_3\text{COOH} ]
Common Reagents and Conditions:
Sulfuric Acid: Used to produce barium sulfate.
Hydrochloric Acid: Used to produce barium chloride.
Nitric Acid: Used to produce barium nitrate.
Major Products:
Barium Carbonate: Formed upon decomposition.
Barium Sulfate, Barium Chloride, Barium Nitrate: Formed upon reaction with respective acids.
Comparison with Similar Compounds
Barium Carbonate (BaCO₃): Used in the preparation of barium acetate.
Barium Sulfate (BaSO₄): Formed from the reaction of this compound with sulfuric acid.
Barium Chloride (BaCl₂): Formed from the reaction of this compound with hydrochloric acid.
Barium Nitrate (Ba(NO₃)₂): Formed from the reaction of this compound with nitric acid.
Uniqueness of this compound: this compound is unique due to its high solubility in water and its ability to form various barium salts through reactions with different acids. This versatility makes it valuable in multiple applications, from industrial processes to scientific research .
Properties
IUPAC Name |
barium(2+);diacetate |
Source
|
|---|---|---|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
InChI |
InChI=1S/2C2H4O2.Ba/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2 |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
InChI Key |
ITHZDDVSAWDQPZ-UHFFFAOYSA-L |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Canonical SMILES |
CC(=O)[O-].CC(=O)[O-].[Ba+2] |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Molecular Formula |
C4H6BaO4, Ba(C2H3O2)2 |
Source
|
| Record name | BARIUM ACETATE | |
| Source | ILO-WHO International Chemical Safety Cards (ICSCs) | |
| URL | https://www.ilo.org/dyn/icsc/showcard.display?p_version=2&p_card_id=1073 | |
| Description | The International Chemical Safety Cards (ICSCs) are data sheets intended to provide essential safety and health information on chemicals in a clear and concise way. The primary aim of the Cards is to promote the safe use of chemicals in the workplace. | |
| Explanation | Creative Commons CC BY 4.0 | |
| Record name | barium acetate | |
| Source | Wikipedia | |
| URL | https://en.wikipedia.org/wiki/Barium_acetate | |
| Description | Chemical information link to Wikipedia. | |
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
DSSTOX Substance ID |
DTXSID7020130 |
Source
|
| Record name | Barium acetate | |
| Source | EPA DSSTox | |
| URL | https://comptox.epa.gov/dashboard/DTXSID7020130 | |
| Description | DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology. | |
Molecular Weight |
255.41 g/mol |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Physical Description |
Dry Powder, White solid; [Hawley] White crystals, soluble in water; [MSDSonline], WHITE CRYSTALS OR POWDER. |
Source
|
| Record name | Acetic acid, barium salt (2:1) | |
| Source | EPA Chemicals under the TSCA | |
| URL | https://www.epa.gov/chemicals-under-tsca | |
| Description | EPA Chemicals under the Toxic Substances Control Act (TSCA) collection contains information on chemicals and their regulations under TSCA, including non-confidential content from the TSCA Chemical Substance Inventory and Chemical Data Reporting. | |
| Record name | Barium acetate | |
| Source | Haz-Map, Information on Hazardous Chemicals and Occupational Diseases | |
| URL | https://haz-map.com/Agents/7969 | |
| Description | Haz-Map® is an occupational health database designed for health and safety professionals and for consumers seeking information about the adverse effects of workplace exposures to chemical and biological agents. | |
| Explanation | Copyright (c) 2022 Haz-Map(R). All rights reserved. Unless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission. | |
| Record name | BARIUM ACETATE | |
| Source | ILO-WHO International Chemical Safety Cards (ICSCs) | |
| URL | https://www.ilo.org/dyn/icsc/showcard.display?p_version=2&p_card_id=1073 | |
| Description | The International Chemical Safety Cards (ICSCs) are data sheets intended to provide essential safety and health information on chemicals in a clear and concise way. The primary aim of the Cards is to promote the safe use of chemicals in the workplace. | |
| Explanation | Creative Commons CC BY 4.0 | |
Solubility |
Solubility in water, g/100ml at 20 °C: 59 |
Source
|
| Record name | BARIUM ACETATE | |
| Source | ILO-WHO International Chemical Safety Cards (ICSCs) | |
| URL | https://www.ilo.org/dyn/icsc/showcard.display?p_version=2&p_card_id=1073 | |
| Description | The International Chemical Safety Cards (ICSCs) are data sheets intended to provide essential safety and health information on chemicals in a clear and concise way. The primary aim of the Cards is to promote the safe use of chemicals in the workplace. | |
| Explanation | Creative Commons CC BY 4.0 | |
Density |
2.47 g/cm³ |
Source
|
| Record name | BARIUM ACETATE | |
| Source | ILO-WHO International Chemical Safety Cards (ICSCs) | |
| URL | https://www.ilo.org/dyn/icsc/showcard.display?p_version=2&p_card_id=1073 | |
| Description | The International Chemical Safety Cards (ICSCs) are data sheets intended to provide essential safety and health information on chemicals in a clear and concise way. The primary aim of the Cards is to promote the safe use of chemicals in the workplace. | |
| Explanation | Creative Commons CC BY 4.0 | |
CAS No. |
543-80-6 |
Source
|
| Record name | Barium acetate | |
| Source | ChemIDplus | |
| URL | https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000543806 | |
| Description | ChemIDplus is a free, web search system that provides access to the structure and nomenclature authority files used for the identification of chemical substances cited in National Library of Medicine (NLM) databases, including the TOXNET system. | |
| Record name | Acetic acid, barium salt (2:1) | |
| Source | EPA Chemicals under the TSCA | |
| URL | https://www.epa.gov/chemicals-under-tsca | |
| Description | EPA Chemicals under the Toxic Substances Control Act (TSCA) collection contains information on chemicals and their regulations under TSCA, including non-confidential content from the TSCA Chemical Substance Inventory and Chemical Data Reporting. | |
| Record name | Barium acetate | |
| Source | EPA DSSTox | |
| URL | https://comptox.epa.gov/dashboard/DTXSID7020130 | |
| Description | DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology. | |
| Record name | Barium di(acetate) | |
| Source | European Chemicals Agency (ECHA) | |
| URL | https://echa.europa.eu/substance-information/-/substanceinfo/100.008.045 | |
| Description | The European Chemicals Agency (ECHA) is an agency of the European Union which is the driving force among regulatory authorities in implementing the EU's groundbreaking chemicals legislation for the benefit of human health and the environment as well as for innovation and competitiveness. | |
| Explanation | Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page. | |
| Record name | BARIUM ACETATE | |
| Source | FDA Global Substance Registration System (GSRS) | |
| URL | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FBA31YJ60R | |
| Description | The FDA Global Substance Registration System (GSRS) enables the efficient and accurate exchange of information on what substances are in regulated products. Instead of relying on names, which vary across regulatory domains, countries, and regions, the GSRS knowledge base makes it possible for substances to be defined by standardized, scientific descriptions. | |
| Explanation | Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required. | |
| Record name | BARIUM ACETATE | |
| Source | ILO-WHO International Chemical Safety Cards (ICSCs) | |
| URL | https://www.ilo.org/dyn/icsc/showcard.display?p_version=2&p_card_id=1073 | |
| Description | The International Chemical Safety Cards (ICSCs) are data sheets intended to provide essential safety and health information on chemicals in a clear and concise way. The primary aim of the Cards is to promote the safe use of chemicals in the workplace. | |
| Explanation | Creative Commons CC BY 4.0 | |
Synthesis routes and methods I
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Synthesis routes and methods II
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Retrosynthesis Analysis
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Strategy Settings
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| Model | Template_relevance |
| Template Set | Pistachio/Bkms_metabolic/Pistachio_ringbreaker/Reaxys/Reaxys_biocatalysis |
| Top-N result to add to graph | 6 |
Feasible Synthetic Routes
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