酢酸ナトリウム
酢酸ナトリウム [一般有機合成用] · ナトリウムアセタート · 酢酸Ｎａ · 酢酸イオン標準液 · 0.2MOL/L 酢酸ナトリウム溶液 · 10W/V% 酢酸ナトリウム溶液 · 1MOL/L(1N) 酢酸ナトリウム溶液 · 2W/V% 酢酸ナトリウム溶液
識別子と物理属性
| CAS No. | 127-09-3 |
|---|---|
| 分子式 | C2H3NaO2 |
| 平均分子量 | 82.03 g/mol |
| 単同位体質量 | 82.00307362 g/mol |
| SMILES | CC(=O)[O-].[Na+] |
| InChIKey | VMHLLURERBWHNL-UHFFFAOYSA-M |
| PubChem CID | 517045 |
| ChEMBL | CHEMBL1354 |
| ChEBI | CHEBI:32954 |
| EC No. | 204-823-8 |
| DTXSID | DTXSID2027044 |
| 現地名 | 酢酸ナトリウム |
化学・物理的性質
| 極性表面積 | 40.1 |
|---|---|
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 5 |
| 形式電荷 | 0 |
| 複雑度 | 34 |
| pH | 8,0-9,5 (1 % aqueous solution)7.87(1 mM solution)8.33(10 mM solution)8.75(100 mM solution)9.04(1000 mM solution) |
| 臭い | Odorless微酢酸 |
| 密度 | 1.528 g/ml1.5 g/cm³1.528 @25 °C1.01 g/mL at 20 °C |
| Color/Form | WHITE GRANULAR POWDER OR MONOCLINIC CRYSTALSColorless |
| 溶解度 | WATER: 119 G/100 ML @ 0 °C, 170.15 G/100 ML @ 100 °CSLIGHTLY SOL IN ALCOHOLSolubility in water, g/100ml at 20 °C: 46.5H2O: 3M at20℃、透明、無色500g/L(20℃) |
| 融点 | 324 °C328 °C328.2 °C>300 °C (dec.)(lit.) |
| 蒸気圧 | 0.00000071 [mmHg] |
| 屈折率 | INDEX OF REFRACTION: 1.4641.4640 |
| Physical Description | Other SolidDry PowderLarge CrystalsLiquidAnhydrous:White, odourless, granular, hygroscopic powderWhite hygroscopic solid[ICSC] Colorless odorless hygroscopic solid[CHEMINFO] White odorless crystalline powder[MSDSonline]WHITE HYGROSCOPIC CRYSTALLINE POWDER. |
| Stability/Shelf Life | SOLUTIONS ARE STABLEEFFLORESCES IN WARM, DRY AIR /SODIUM ACETATE TRIHYDRATE, USP/ |
| 自然発火温度 | 1125 °F /SODIUM ACETATE TRIHYDRATE/607 °C |
| Other Experimental Properties | HYGROSCOPICCOLORLESS, TRANSPARENT CRYSTALS OR GRANULAR, CRYSTALLINE POWDERODORLESS OR HAS FAINT, ACETOUS ODOR. /SODIUM ACETATE TRIHYDRATE, USP/SOL: 76.2 G/100 ML WATER AT 0 °C138.8 G/100 ML WATER @ 50 °C2.1 G/100 ML ALC AT 18 °CSOL IN ETHERINDEX OF REFRACTION: 1.464 (BETA)DENSITY 1.45 G/MLMP 58 °CCOLORLESS MONOCLINIC PRISMS. /SODIUM ACETATE TRIHYDRATE/ |
| FEMA | 3024 | SODIUM ACETATE |
| 引火点 | >250 °C |
| 貯蔵条件 | Store at +5°C to +30°C. |
| 外観・状態 | 粉 |
| pKa（酸解離定数） | 4.756[at 20 ℃] |
| 比重 | 1.45 |
| 色 | 白い |
| においのタイプ | 無臭 |
| 由来生物 | synthetic |
| 比熱容量 | Cp(crystal): 0.97 J/(g·K), at 25℃ |
| Merck | 14,8571 |
| 沸点 | >400°C(decomposition) |
| BRN | 3595639 |
| 安定性 | 安定。強力な酸化剤、ハロゲンとは相容れない。湿気に敏感。 |
| 化粧品成分の機能 | バッファリング香料 |
| InChI | 1S/C2H4O2.Na/c1-2(3)4/h1H3,(H,3,4)/q+1/p-1 |
| InChIKey | VMHLLURERBWHNL-UHFFFAOYSA-M |
| SMILES | [Na+].CC([O-])=O |
| LogP（分配係数） | -3.72 |
| CAS データベース | 127-09-3(CAS DataBase Reference) |
| NISTの化学物質情報 | Sodium ethanoate(127-09-3) |
| EPAの化学物質情報 | Sodium acetate (127-09-3) |
| Absorption | ≤0.01 at 260nm in H2O at 100mM≤0.01 at 280nm in H2O at 100mM |
化学的特性
Sodium acetate, CH3COONa, also abbreviated NaOAc , also sodium ethanoate, is the sodium salt of acetic acid, was made by the reaction of acetic acid with sodium carbonate. It is soluble in water but less so in alcohol. This colourless salt has a wide range of uses. Sodium acetate was used as a pH modifier for toning baths.
化学性质
有機酸およびその塩
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 95.4% (1320 of 1383) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 1320 of 1383 companies (only 4.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 1383 reports by companies from 10 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 1320 of 1383 reports by companies.There are 7 notifications provided by 63 of 1383 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: Acetic acid, sodium saltAcetic acid, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 27-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15311Sodium acetate: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - Acetic acid, sodium salt: Human health tier I assessmentIMAP assessments - Acetic acid, sodium salt: Environment tier I assessment |
| 火災危険 | Combustible. |
| 有害性の概要 | Emergency treatment: Irritants[HSDB] A mild skin and eye irritant[ICSC] May cause mild skin and eye irritation, based on animal studies[CHEMINFO] Causes toxic psychosis in rabbits after intravenous dose >1300 mg/kg[RTECS] |
| FDA 要件 | Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended21 U.S.C. 321-392).The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl sodium acetate, approved on the basis of safety and effectiveness by FDA under sections 505 and 507 of the Federal Food, Drug, and Cosmetic Act.Substances migrating to food from cotton and cotton fabrics used in dry food packaging that are generally recognised as safe for their intended use include sodium acetate.Substance added directly to human food affirmed as generally recognized as safe (GRAS) when in compliance with specified requirements.Sodium acetate used as a general purpose food additivin animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. |
| TSCA 要件 | This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Sodium acetate is produced, as an intermediate or a final product, by process units covered under this subpart. |
| EPA Safer Chemical | Chemical: Sodium acetateGreen circle - The chemical has been verified to be of low concern based on experimental and modeled data.Chemical: Sodium acetate hydrate |
| FIFRA 要件 | Residues of sodium acetate are exempted from the requirement of a tolerance when used as a buffer in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest. |
| Chemical Dangers | Decomposes on heating and on contact with strong acids. This produces acetic acid fumes. Reacts violently with strong oxidants. The solution in water is a weak base. |
| Hazard Classes and Categories | Not Classified |
| Explosive Limits and Potential | Combustible |
| Hazardous Reactivities and Incompatibilities | Violent reaction with flourine and potassium nitrate, diketene. |
| 消火 | Use water spray, foam, powder, carbon dioxide. |
| 応急処置措置 | Fresh air, rest.Rinse and then wash skin with water and soap.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention. |
| 安全保管 | Dry. Separated from strong acids and strong oxidants. |
| 漏出処分 | Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Wash away remainder with plenty of water. |
| Eye Prevention | Wear safety goggles. |
| Fire Prevention | NO open flames. |
| Inhalation Risk | No indication can be given about the rate at which a harmful concentration of this substance in the air is reached. |
| Skin Prevention | Protective gloves. |
| Allowable Tolerances | Residues of sodium acetate are exempted from the requirement of a tolerance when used as a buffer in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest. |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Inhalation Prevention | Use local exhaust. |
| Effects of Short Term Exposure | The substance is mildly irritating to the eyes and skin. |
| 相互作用 | ITS ORAL USE SPEEDS METABOLISM OF & LOWERS ETHYL ALCOHOL LEVEL IN RATS' BLOOD.IV SODIUM ACETATE DID NOT REVERSE MYOCARDIAL DEPRESSION INDUCED BY HALOTHANE WHEN ADMIN TO DOGS. ACETATE, A WELL-ESTABLISHED PERIPHERAL VASCULAR VASODILATOR, DID DECR LEFT VENTRICULAR & AORTIC PRESSURES. |
| 健康影響 | Silver itself is not toxic to humans, but most silver salts are. In large doses, silver and compounds containing it can be absorbed into the circulatory system and become deposited in various body tissues, leading to argyria, which results in a blue-grayish pigmentation of the skin, eyes, and mucous membranes. Argyria is rare, and although, so far as known, this condition does not otherwise harm a person's health, it is disfiguring and usually permanent. Mild forms of argyria are sometimes mistaken for cyanosis. (L809) |
| 暴露経路 | The substance can be absorbed into the body by ingestion.Oral (L808)inhalation (L808)dermal (L808) |
| 毒性の概要 | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.orgMetallic silver is oxidized and may deposit in the tissues, causing arygria. The silver ion is known to inhibit glutathione peroxidase and NA+,K+-ATPase activity, disrupting selenium-catalyzed sulfhydryl oxidation-reduction reactions and intracellular ion concentrations, respectively. Silver nanoparticles are believed to disrupt the mitochondrial respiratory chain, causing oxidative stress, reduced ATP synthesis, and DNA damage. (L808, A243, A244, A245, A246) |
| Signs and Symptoms | Redness.Exposure to high levels of silver for a long period of time may result in a condition called arygria, a blue-gray discoloration of the skin and other body tissues. Argyria is a permanent effect but does not appear to be harmful to health. Exposure to high levels of silver in the air has resulted in breathing problems, lung and throat irritation, and stomach pains. Skin contact with silver can cause mild allergic reactions such as rash, swelling, and inflammation in some people. (L808) |
| Human Toxicity Excerpts | SISTER CHROMATID EXCHANGE - IN VITRO CHROMOSOMAL EFFECT STUDIES, HUMAN: NEGATIVE.Acetate is the primary breakdown product of ethanol metabolism in the liver. ... Systemically administered acetate has been shown to cause motor impairment, an effect which is blocked by the adenosine receptor blocker, 8-phenyltheophylline. The effects of sodium acetate were investigated using intracellualr recording techniques in rat hippocampal dentate granule cells, and were compared to the actions of ethanol and adenosine individually and in conjunction with 8-phenyltheophylline. Acetate hyperpolarized the membrane of 0.4-0.8 mM. The amplitude and duration of the postspike train after hyperpolarization were increased by acetate when the cell was repolarized to the control resting membrane potential. Comparable results were seen in voltage clamp. Acetate also decreased spike frequency adaptation. The effects of acetate were mimicked by adenosine (50 uM) and ethanol (20 mM). The ethanol effects occluded those produced by acetate. All of the effects of acetate, adenosine and ethanol could be inhibited with prior perfusion of 8-phenyltheophylline (1-10 uM). These data suggest that the actions of the major metabolite of ethanol, acetate, and adenosine may be mediated by adenosine receptor activation. |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Non-Human Toxicity Excerpts | TEST CONDITIONS WERE: INJECTION VIA AIR CELL & VIA YOLK& AT 2 TIMES, PREINCUBATION (0 HR) & 96 HR. AT LEAST 100 EMBRYOS/DOSE LEVEL WERE TREATED. SODIUM ACETATE WAS NONTERATOGENIC.Sodium acetate was evaluated using the Chernoff/Kavlock in vivo teratology screen procedure. End points analyzed as part of this assay were maternal toxicity and early postnatal growth/viability of offspring. Thirty pregnant CD 1 mice were given 1000 mg/kg/day of sodium acetate by gavage on days 8-12 of gestation and allowed to deliver. Forty vehicle-treated animals were used as controls. Sodium acetate induced no observable adverse effects in the dams or their offspring when compared with controls.Sodium acetate, tested on rabbit eyes as 0.1 M solution adjusted to pH 7.0 to 7.5 and made 0.46 osmolar with sodium chloride or sucrose, caused no disturbance of the cornea, though applied continuously for 3 hr.IP ADMIN TO SWISS WEBSTER MICE DELAYED & REDUCED INCIDENCE OF HYPOGLYCEMIC REACTIONS. THE ACETATE DIRECTLY ACTED TO PREVENT SIGNS OF HYPOGLYCEMIA FROM OCCURRING & REVERSED ITS MAINFESTATIONS WHEN PRESENT. |
| Toxicity Data | LC50 (rat) > 30,000 mg/m3/1h |
| Non-Human Toxicity Values | LD50 Rat oral 3500 mg/kgLD50 Mouse oral 4960 mg/kg |
| F | 3 |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | AJ4300010 |
| 毒性 | LD50 orally in Rabbit: 3530 mg/kg LD50 dermal Rabbit > 10000 mg/kg |
| 税関コード | 29152200 |
| 化審法 | (2)-692 |
| 安全措置（S） | 22-24/25 |
| 自然発火温度 | 607 °C |
| 貯蔵分類 | 11 - Combustible Solids |
| 有害物質データ | 127-09-3(Hazardous Substances Data) |
用途
解説
酢酸ナトリウム，CH3COONa(82.03)．酢酸と水酸化ナトリウムの中和，または酢酸カルシウムと硫酸ナトリウムの複分解により三水和物が得られる．三水和物は無色の単斜晶系結晶．風解性で，融点59 ℃．120～250 ℃ で乾燥すると無水物となる．無水物は白色の単斜晶系結晶．密度1.528 g cm－3．融点320 ℃．吸湿性で，水に易溶，エタノールに微溶．分析試薬，緩衝剤，食品防腐剤，医薬品，写真，めっき工業，媒染剤，脱水剤，有機合成などに用いられる．
用途
核酸のエタノール沈殿、緩衝液調製用等。
用途
染料、医薬品の製造研究用、脱水剤。
用途
酢酸ナトリウム(無水)は透析薬原料?食品添加物などに使用されています。
説明
Sodium acetate (CH3COONa) is the sodium salt of acetic acid. It appears as a colorless deliquescent salt with a wide range of applications. In industry, it can be used in textile industry to neutralize sulfuric acid waste streams and as a photoresist upon using aniline dyes. In concrete industry, it can be used as a concrete sealant to mitigate the water damage. In food, it can be used as a seasoning. It can also be used as a buffer solution in lab. In addition, it is also used in heating pads, hand warmers and hot ice. For laboratory use, it can be produced by the reaction between acetate with the sodium carbonate, sodium bicarbonate and sodium hydroxide. In industry, it is prepared from the glacial acetic acid and sodium hydroxide.
天然物の起源
Acetic acid or acetates are present in most plant and animal tissues in small, but detectable amounts
使用
Used as buffers. Acidity regulation (buffering) Sodium acetate mixed with acetic acid forms a pH buffer, which can be used to stabilise the pH of foods in the pH-range from 3 to 6. The table below gives indicative values of the composition needed to give a certain pH. The mixtures below can be diluted at least 10 times with minimum effect on pH, however, the stability decreases.
一般的な説明
Sodium Acetate is reported to inhibit the growth of Listeria monocytogenes.
使用用途
酢酸ナトリウムは主に下記の用途で使用されます。 1. 試薬 酢酸ナトリウムは試薬として用いられ、緩衝液 (酸や塩基を少量加えてもpHをほぼ一定に保つ働きがある溶液) がその一例です。酢酸と酢酸ナトリウムを混合して作られる緩衝液は、HPLC (高速液体クロマトグラフ) 分析などに用いられています。 2. 食品添加物 酢酸ナトリウムは食品添加物です。微生物の生育を抑制する作用があることから、食品の保存期間を延ばす目的で使用されます。また、酸味を調整する物質としてソース類やマヨネーズにも使われています。 3. 媒染剤 酢酸ナトリウムは、布への染料の付着を促進する働きがある物質です。 その他、医薬品、写真用薬品、メッキ薬剤、脱水剤、有機合成触媒など幅広い用途で使用されています。
製法・合成法
製造方法
Sodium acetate is prepared by reacting sodium hydroxide or sodium carbonate with acetic acid in aqueous solution. The solution is evaporated to obtain hydrated crystals of sodium acetate. NaOH + CH3COOH → CH3COONa + H2O Na2CO3 + CH3COOH → 2CH3COONa + CO2 + H2O
純化方法
Crystallise it from acetic acid and keep it under vacuum for 10hours at 120o. Alternatively, it is crystallised from aqueous EtOH, as the trihydrate. This material can be converted to anhydrous salt by heating slowly in a porcelain, nickel or iron dish, so that the salt liquefies. Steam is evolved and the mass again solidifies. Heating is now increased so that the salt melts again. (NB: if it is heated too strongly, the salt can char; avoid this.) After several minutes, the salt is allowed to solidify and is cooled to a convenient temperature (in a desiccator) before being powdered and bottled. The water content should now be less than 0.02%. [Beilstein 2 II 113, 2 III 184, 2 IV 109.]