uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723410
查看IDENTITY
结构与身份
- 标准SMILES
- CC(=O)[O-].[Na+]
- InChIKey
- VMHLLURERBWHNL-UHFFFAOYSA-M
- 分子式
- C2H3NaO2
- 平均分子量
- 82.03 g/mol
- 单同位素质量
- 82.00307362
COMPUTED
结构计算性质
- 极性表面积
- 40.1 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子
- 5
- 形式电荷
- 0
- 复杂度
- 34
PROPERTIES
实验与物化性质
pH
8,0-9,5 (1 % aqueous solution)
Odor
Odorless
Density
1.528 g/ml
1.5 g/cm³
1.528 @25 °C
Color/Form
WHITE GRANULAR POWDER OR MONOCLINIC CRYSTALS
Colorless
Solubility
WATER: 119 G/100 ML @ 0 °C, 170.15 G/100 ML @ 100 °C; SLIGHTLY SOL IN ALCOHOL
Solubility in water, g/100ml at 20 °C: 46.5
Melting Point
324 °C
328 °C
328.2 °C
Vapor Pressure
0.00000071 [mmHg]
Refractive Index
INDEX OF REFRACTION: 1.464
Physical Description
Other Solid; Dry Powder; Large Crystals; Liquid; Other Solid; Liquid
Anhydrous:White, odourless, granular, hygroscopic powder
White hygroscopic solid; [ICSC] Colorless odorless hygroscopic solid; [CHEMINFO] White odorless crystalline powder; [MSDSonline]
WHITE HYGROSCOPIC CRYSTALLINE POWDER.
Stability/Shelf Life
SOLUTIONS ARE STABLE; EFFLORESCES IN WARM, DRY AIR /SODIUM ACETATE TRIHYDRATE, USP/
Autoignition Temperature
1125 °F /SODIUM ACETATE TRIHYDRATE/
607 °C
Other Experimental Properties
HYGROSCOPIC
COLORLESS, TRANSPARENT CRYSTALS OR GRANULAR, CRYSTALLINE POWDER; ODORLESS OR HAS FAINT, ACETOUS ODOR. /SODIUM ACETATE TRIHYDRATE, USP/
SOL: 76.2 G/100 ML WATER AT 0 °C; 138.8 G/100 ML WATER @ 50 °C; 2.1 G/100 ML ALC AT 18 °C; SOL IN ETHER; INDEX OF REFRACTION: 1.464 (BETA); DENSITY 1.45 G/ML; MP 58 °C; COLORLESS MONOCLINIC PRISMS. /SODIUM ACETATE TRIHYDRATE/
GHS
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 95.4% (1320 of 1383) of all reports.
Not Classified;Reported 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.
HAZARDS
危害信息
Regulatory Information
Chemical: Acetic acid, sodium salt
Acetic 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/15311
Sodium acetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - Acetic acid, sodium salt: Human health tier I assessment;IMAP assessments - Acetic acid, sodium salt: Environment tier I assessment
Fire Hazards
Combustible.
Hazards Summary
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 Requirements
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 amended; 21 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 Requirements
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 acetate; Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.
Chemical: Sodium acetate hydrate; Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.
FIFRA Requirements
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.
SAFETY
安全与防护
Fire Fighting
Use water spray, foam, powder, carbon dioxide.
First Aid Measures
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.
Rest.
Safe Storage
Dry. Separated from strong acids and strong oxidants.
Spillage Disposal
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.
TOXICITY
毒理信息
Interactions
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.
Health Effects
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)
Exposure Routes
The substance can be absorbed into the body by ingestion.
Oral (L808) ; inhalation (L808) ; dermal (L808)
Toxicity Summary
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.org
Metallic 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.
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/kg
LD50 Mouse oral 4960 mg/kg
REGULATORY
法规信息
Regulatory Information
Chemical: Acetic acid, sodium salt
Acetic 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/15311
Sodium acetate: Does not have an individual approval but may be used under an appropriate group standard
FDA Requirements
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 amended; 21 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 Requirements
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.
FIFRA Requirements
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.
PHARMACOLOGY
药理信息
ATC Code
B - Blood and blood forming organs;B05 - Blood substitutes and perfusion solutions;B05X - I.v. solution additives;B05XA - Electrolyte solutions;B05XA08 - Sodium acetate
QB - Blood and blood forming organs;QB05 - Blood substitutes and perfusion solutions;QB05X - I.v. solution additives;QB05XA - Electrolyte solutions;QB05XA08 - Sodium acetate
Pharmacodynamics
Sodium is the principal cation of extracellular fluid. It comprises more than 90% of total cations at its normal plasma concentration of approximately 140 mEq/liter. The sodium ion exerts a primary role in controlling total body water and its distribution. Acetate ions acts as hydrogen ion acceptor which is alternative to bicarbonate.
Mechanism of Action
It works as a source of sodium ions especially in cases of hyponatremic patients. Sodium has a primary role in regulating extracellular fluid volume. It controls water distribution, fluid and electrolyte balance and the osmotic pressure of body fluids. Sodium is also involved in nerve conduction, muscle contraction, acid-base balance and cell nutrient uptake.
Metabolism/Metabolites
In liver, sodium acetate is being metabolized into bicarbonate. To form bicarbonate, acetate is slowly hydrolyzed to carbon dioxide and water, which are then converted to bicarbonate by the addition of a hydrogen ion.
THE ACETATE ION IS RAPIDLY & COMPLETELY METABOLIZED BY BODY, & CONSEQUENTLY ADMIN OF SODIUM ACETATE IS EVENTUALLY EQUIVALENT TO GIVING SODIUM BICARBONATE. /SODIUM ACETATE TRIHYDRATE, USP/
CONSTANT RATE INFUSIONS OF SODIUM ACETATE GIVEN TO VOLUNTEERS, AT 4 MMOL/KG/HR INCR PLASMA ACETATE BY ONLY 0.41 MMOL/L, INDICATING A HIGH ACETATE METABOLIZING CAPACITY IN MAN.
Readily metabolized outside the liver.
Silver and its compounds can be absorbed via inhalation, while silver compounds can also be absorbed orally and dermally. It distributes throughout the body in the blood, particularily to the liver. Insoluble silver salts are transformed into soluble silver sulfide albuminates, bind to amino or carboxyl groups in RNA, DNA, and proteins, or are reduced to metallic silver by ascorbic acid or catecholamines. Metallic silver is oxidized and may deposit in the tissues, causing arygria. Silver is eliminated primarily in the faeces. (L808)
FDA Pharmacological Classification
NATRUM ACETICUM
Inhibition Large Intestine Fluid/Electrolyte Absorption [PE]; Osmotic Activity [MoA]; Osmotic Laxative [EPC]; Increased Large Intestinal Motility [PE]
SODIUM ACETATE
Increased Large Intestinal Motility [PE]; Osmotic Laxative [EPC]; Inhibition Large Intestine Fluid/Electrolyte Absorption [PE]; Osmotic Activity [MoA]
Absorption, Distribution and Excretion
It is readily available in the circulation after IV administration.
Both the sodium and bicarbonate ions are excreted mainly in the urine. Some sodium is excreted in the feces, and small amounts may also be excreted in saliva, sweat, bile and pancreatic secretions.
USES
用途与制造
Uses
CIR ingredient: Sodium Acetate
Used as an auxiliary in acetylations and to make acetyl chloride, cinnamic acid, cellulose acetate, and pharmaceuticals; Also used in soaps, meat preservatives, electroplating, tanning, and as a dehydrating agent, buffer in photography, catalyst for dyes and polyester resins, mordant for dyes; Also used in medicine (systemic and urinary alkalizer and bicarbonate precursor in parenteral nutrition) and veterinary medicine (electrolyte source and treatment of bovine ketosis); [HSDB]
Electroplating [Category: Plate];Leather Tanning and Processing [Category: Industry];Photographic Processing [Category: Other];Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
AUXILIARY IN ACETYLATIONS /ANHYDROUS SODIUM ACETATE/
IN PHOTOGRAPHY; AS REAGENT ... TO ELIMINATE EFFECT OF STRONG ACIDS (BUFFER); FOR FOOT WARMERS & MILK BOTTLE WARMERS. /SODIUM ACETATE TRIHYDRATE/
IN MFR PHARMACEUTICALS; SOAPS; PURIFICATION OF GLUCOSE; MEAT PRESERVATION; ELECTROPLATING; TANNING; DEHYDRATING AGENT.
Impurities
Because of demanding reagent,pharmaceutical, medical, and photographic uses, purity becomes very important. Among improvements made in recent years were the reduction of iron content and carbonate level of the Food Chemical Codex grade. Technical grades have higher limits for heavy metals, arsenic, carbonates, or potassium compounds.
U.S. Exports
(1984) Negligible
U.S. Imports
(1984) 2.78X10+8 g
U.S. Production
2023: 10,000,000 - <50,000,000 lb;2022: 10,000,000 - <50,000,000 lb;2021: 10,000,000 - <50,000,000 lb;2020: 10,000,000 - <50,000,000 lb
(1973) 9.31X10+9 GRAMS (SALES)
(1975) > 2.72X10+6 GRAMS
(1984) 6.63X10+9 g
Consumption Patterns
Textile, Leather, Dyestuff & Chemical Intermediate, 75%; Misc, 25% (1983)
Consumer Uses
Photosensitive agent;Preservative;Not Known or Reasonably Ascertainable;Soil amendments (fertilizers);Cleaning agent;pH regulating agent;Other
Industry Uses
Soil amendments (fertilizers);Not Known or Reasonably Ascertainable;Catalyst;Preservative;Cleaning agent;Etching agent;Chelating agent;Flavoring and nutrient;Antioxidant;pH regulating agent;Plating agent
Methods of Manufacturing
OBTAINED AS BYPRODUCT FROM MFR OF ACETANILID, ACETYLSALICYLIC ACID, & SIMILAR ACETYLATED COMPD. IT IS MOST EASILY PREPARED BY NEUTRALIZING ACETIC ACID WITH SODIUM CARBONATE & EVAPORATING SOLN TO CRYSTALLIZATION. /SODIUM ACETATE TRIHYDRATE, USP/
Produced by the action of acetic acid on alkali such as caustic soda or soda ash.
Formulations/Preparations
GRADES: HIGHEST PURITY; PURE FUSED; CP; NF; TECHNICAL; FCC
There are several commercial grades of sodium acetate. Anhydrous 99.0% purity is available as technical, USP and photo grade. Photo grade has a more narrow particle size distribution and the particle density is greater and more uniform. Sodium acetate 60% is available as technical, NF, and Food Chemicals Codex. In the form of clean fine crystals, this trihydrate contains about 40% water of crystallization. Commercial solutions, 33%, are also available
Generic solution 2 mEq/ml in 20, 50, and 100 ml containers and 4 mEq/ml in 50 and 100 ml containers.
Household Products
Information on 29 consumer products that contain Sodium Acetate in the following categories is provided:;• Commercial / Institutional;• Inside the Home;• Personal Care;• Pesticides
Use Classification
EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Food additives
Fragrance Ingredients
ALIASES
名称与别名
REACTIONS
参与反应
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