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| CAS No.: | 543-80-6 |
|---|---|
| Name: | Barium acetate |
| Molecular Structure: | |
|
|
|
| Formula: | C4H8BaO4 |
| Molecular Weight: | 255.419 |
| Synonyms: | Aceticacid, barium salt (8CI,9CI);Barium acetate (6CI);Barium diacetate;Barium(II)acetate; |
| EINECS: | 208-849-0 |
| Density: | 2.46 g/cm3 |
| Melting Point: | 450 °C |
| Boiling Point: | 117.1 °C at 760 mmHg |
| Flash Point: | 40 °C |
| Solubility: | Soluble in water |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/22 |
| Safety: | 28 |
| PSA: | 37.30000 |
| LogP: | 0.09090 |
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| Conditions | Yield |
|---|---|
| In water at 20 - 110℃; Temperature; | 98.5% |
| In acetic acid byproducts: CO2; neutralizing of BaCO3 with a minimum amt. of glacial acetic acid, boiling; not isolated; |
A
- 22509-51-9
O-ethyl benzoylhydroxamic acid
B
- 543-80-6
barium(II) acetate
| Conditions | Yield |
|---|---|
| substance of Lossen and Neumann; |
| Conditions | Yield |
|---|---|
| In not given 12 h at 170°C; without or in presence of CO2; |
| Conditions | Yield |
|---|---|
| In water CH3COOH:Ba(OH)2=2.25:0.98 (molar ratio); | |
| In water to Ba(OH)2 added excess acetic acid; | |
| With diammonium sulfide; oxalic acid; pyrographite In water at 80 - 90℃; for 0.166667h; |
| Conditions | Yield |
|---|---|
| boiling; | |
| With water boiling; | |
| With water boiling; | |
| boiling; |
- 543-80-6
barium(II) acetate
| Conditions | Yield |
|---|---|
| In neat (no solvent) byproducts: D2O; dehydration at 313-418 K; |
- 5908-64-5, 65143-90-0, 66634-28-4, 85144-12-3, 106854-42-6, 119914-10-2, 119914-11-3
barium acetate monohydrate
- 543-80-6
barium(II) acetate
| Conditions | Yield |
|---|---|
| In ethanol 42.4°C (or 40.3°C in 96% alc.); detected on the basis of conductivity of soln.; | |
| 41°C; | |
| 42.2°C; |
- 543-80-6
barium(II) acetate
| Conditions | Yield |
|---|---|
| In neat (no solvent) byproducts: D2O; two step dehydration; |
B
- 543-80-6
barium(II) acetate
| Conditions | Yield |
|---|---|
| In water decompn.;; | |
| In water decompn.;; |
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Consensus Reports
Reported in EPA TSCA Inventory. Barium and its compounds are on the Community Right-To-Know List.
Standards and Recommendations
OSHA PEL: TWA 0.5 mg(Ba)/m3
ACGIH TLV: TWA 0.5 mg(Ba)/m3; Not Classifiable as a Human Carcinogen
DFG MAK: 0.5 mg(Ba)/m3
Specification
The Barium acetate, with the CAS registry number 543-80-6 and EINECS registry number 208-849-0, has the systematic name of barium diacetate. It is a kind of whitepowder, and belongs to the following product categories: Industrial/Fine Chemicals; Inorganic Chemicals; Organic-metal salt; A-B, Puriss p.a. ACSSynthetic Reagents; Analytical Reagents for General Use; Puriss p.a. ACS; BariumMicro/Nanoelectronics; Barium; Inorganic Salts; Solution Deposition Precursors; Synthetic Reagents; ACS GradeSynthetic Reagents; Essential Chemicals; Routine Reagents. And the molecular formula of this chemical is C4H8BaO4.
The Barium acetate is the salt of barium(II) and acetic acid, and it is highly soluble: 55.8 g of barium acetate can be dissolved in 100g of water at 0 °C. Barium acetate decomposes upon heating into barium carbonate. And when reacts with acids, such as sulfuric acid, hydrochloric acid and nitric acid, the reaction give the sulfate, chloride and nitrate respectively.
The physical properties of Barium acetate are as followings: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -2.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.73; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 40 °C; (14)Enthalpy of Vaporization: 23.7 kJ/mol; (15)Boiling Point: 117.1 °C at 760 mmHg; (16)Vapour Pressure: 13.9 mmHg at 25°C.
Preparation: It is generally produced by the reaction of acetic acid with barium carbonate. And the reaction is performed in solution and the barium acetate crystallizes out.
BaCO3 + 2CH3COOH → (CH3COO)2Ba + CO2 + H2O
Uses of Barium acetate: It is usually used as a mordant for printing textile fabrics, for drying paints and varnishes and in lubricating oil. What's more, it is also used in the preparation of other acetates, and as a catalyst in organic synthesis in chemistry.
You should be cautious while dealing with this chemical. It is harmful by inhalation and if swallowed. Therefore, you had better take the instruction: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).
You can still convert the following datas into molecular structure:
(1)SMILES: [Ba+2].[O-]C(=O)C.[O-]C(=O)C
(2)InChI: InChI=1/2C2H4O2.Ba/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
(3)InChIKey: ITHZDDVSAWDQPZ-NUQVWONBAA
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 21mg/kg (21mg/kg) | Toxicology and Applied Pharmacology. Vol. 22, Pg. 150, 1972. | |
| rabbit | LDLo | intravenous | 12mg/kg (12mg/kg) | Environmental Quality and Safety, Supplement. Vol. 1, Pg. 1, 1975. | |
| rabbit | LDLo | oral | 236mg/kg (236mg/kg) | Environmental Quality and Safety, Supplement. Vol. 1, Pg. 1, 1975. | |
| rabbit | LDLo | subcutaneous | 96mg/kg (96mg/kg) | Environmental Quality and Safety, Supplement. Vol. 1, Pg. 1, 1975. | |
| rat | LD50 | oral | 921mg/kg (921mg/kg) | Personal Communication from J.V. Marhold, VUOS, 539-18, Pardubice, Czechoslavakia, Mar. 29, 1977Vol. 29MAR1977, |