126-96-5
sodium hydrogen di(acetate)
CAS: 126-96-5
Molecular Formula: C2H5NaO2
126-96-5 - Names and Identifiers
| Name | sodium hydrogen di(acetate) |
| Synonyms | SDA Sodium diacetate SODIUM DIACETATE SODIUM ACETATE BUFFER Sodium diacetate acid SODIUM DIACETATE HYDRATE SODIUM HYDROGEN DIACETATE SODIUM ACETATE ACETIC ACID sodium hydrogen di(acetate) SODIUM ACETATE ACETIC ACID BUFFER SODIUM HYDROGEN DIACETATE HYDRATE |
| CAS | 126-96-5 |
| EINECS | 204-814-9 |
| InChI | InChI=1/2C2H4O2.2Na/c2*1-2(3)4;;/h2*1H3,(H,3,4);;/q;;2*+1/p-2 |
| InChIKey | BHZOKUMUHVTPBX-UHFFFAOYSA-M |
126-96-5 - Physico-chemical Properties
| Molecular Formula | C2H5NaO2 |
| Molar Mass | 84.05 |
| Density | 1.01 g/mL at 20 °C |
| Melting Point | 323-329 °C (lit.) |
| Boling Point | 117.1℃ at 760 mmHg |
| Flash Point | 40°C (104°F) |
| Water Solubility | soluble H2O [MER06]; slightly soluble alcohol; insoluble ether [HAW93] |
| Vapor Presure | 0Pa at 25℃ |
| Appearance | White crystal |
| Color | Clear colorless |
| Merck | 13,8681 |
| BRN | 3786729 |
| pKa | 4.756[at 20 ℃] |
| PH | 7.0±0.05 (25℃) |
| Storage Condition | room temp |
| Sensitive | Easily absorbing moisture |
| MDL | MFCD00137248 |
| Physical and Chemical Properties | melting point 323-329°C |
| Use | Is a new type of food and feed mold preservative, acid and improver, in the industrial field as chelating agent, homogenizing agent and |
126-96-5 - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | 35 - Causes severe burns |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S23 - Do not breathe vapour. |
| WGK Germany | 1 |
| RTECS | AJ4375000 |
| HS Code | 29152910 |
126-96-5 - Upstream Downstream Industry
126-96-5 - Reference
| Reference Show more | 1. Chen Xue Shi Dejun Huang Boshen et al. Comparison of antibacterial effects of three commonly used preservatives in combination with pathogenic bacteria [J]. Journal of Agronomy, Yanbian University 2016 38(001):18-23. 2. Jing Nana, Li Hua, Li Zhen, et al. Effects of packaging ozone and preservative treatment on respiration intensity and storage effect of' Dahongpao' fresh pepper [J]. 2019 of Food Industry Science and Technology (15). 3. Li Xiaohong, Luo Hongxia, Guronghui, et al. Study on bacteriostatic effect of organic acid salts in silage lactic acid fermentation [J]. Journal of Anhui Agricultural University, 2018, 045(003):416-421. 4. Chen Xue, Gao Meixu, Cui Chengbi, et al. Effect of Electron Accelerator Irradiation on Bacteriostasis of Weak Acid Preservatives [J]. Chinese Journal of Food Science, 2018, 018(009):210-216. 5. Li Shujin, Gao Meixu, Cui Chengbi, etc. Effect of Irradiation on Antibacterial Activity of Organic Weak Acid Preservatives [J]. Food Science, 2014. 6. Xiao Hong Tian Wen Jing Liu Xiaofei et al. Study on Tolerance of Lactic Acid Microcapsules to Organic Acid Salt Silage Additives [J]. Chinese Dairy Cows 2018 000(006):11-14. 7. [IF = 15.621] Yingnan Zhu et al."A Multifunctional Pro-Healing Zwitterionic Hydrogel for Simultaneous Optical Monitoring of pH and Glucose in Diabetic Wound Treatment." Adv Funct Mater. 2020 Feb;30(6):1905493 8. [IF = 5.537] Yanping Ma et al."Chlorine dioxide and sodium diacetate treatments in controlled atmospheres retard mold incidence and maintain quality of fresh walnuts during cold storage." Postharvest Biol Tec. 2020 Mar;161:111063 |
126-96-5 - Introduction
Sodium diacetate is a molecular compound of sodium acetate and acetic acid, which is associated by short hydrogen bonds. White hygroscopic crystalline powder, non-toxic, with acetic acid odor, soluble in water (1 g/ml) and ethanol. Heat to above 1500 ℃ for decomposition, emitting smoke and irritating sour taste. The PH value of the aqueous solution is 4.5-5.0(10% aqueous solution).
Last Update：2022-10-16 17:13:01
126-96-5 - Reference Information
| FEMA | 3900 | SODIUM DIACETATE |
| LogP | -3.72 |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Molecular compound of sodium acetate and acetic acid | Sodium diacetate is a molecular compound of sodium acetate and acetic acid, referred to as SDA, also known as sodium hydrogen diacetate, sodium diacetate, Japan is also called solid acetic acid. The appearance is white crystal powder, hygroscopic and slightly acetic acid smell. Flammable, easily soluble in water and ethanol. The toxicity is very low. The oral LD50 of mice is 3.31 g/kg, and the oral LD50 of rats is 4.96 g/kg. The allowable daily intake (ADI) per person is 0~15 mg/kg. The final metabolites of sodium diacetate in the organism are water and CO2, which will not remain in the human body, and have no destructive or side effects on humans, animals and the ecological environment. Because it is safe, non-toxic, non-residual, non-carcinogenic, and non-teratogenic, it is recognized as an "O" toxic substance by the United Nations Health Organization. The United Nations Food and Agriculture Organization (FAO) and the World Health Organization (WHO) have approved it as food, grain, and feed. Anti-mold, antiseptic and antiseptic preservative. Sodium diacetate is used for anti-mold in grain, food and feed. It has a high-efficiency anti-mold effect, especially a strong inhibitory effect on aflatoxin. It penetrates into the cell wall of microorganisms and interferes with various enzyme systems in cells. Growth, it can effectively inhibit the common Aspergillus flavus, Aspergillus niger, poisonous mold, Penicillium juliform, Aspergillus gray, Aspergillus white and more than ten kinds of mycotic elements such as Escherichia coli, Listeria, Gram-negative bacteria, etc. Bacteria occur, grow and spread, and its anti-mold effect is better than that of the anti-mold agent calcium propionate. A large number of foreign countries have been used for anti-mold preservation of grain, food and feed, and the domestic is still in its infancy. In my country, sodium diacetate is a new type of multifunctional green food additive, which is mainly used for anti-mildew, anti-corrosion, preservation, seasoning and improving nutritional value of grains and foods. In addition, it is widely used in baked foods, condiments, pickles, and pickles., Mustard, meat, fruit juice drinks and other processed foods, it is currently an ideal product to replace sorbic acid, potassium sorbate, benzoic acid, sodium benzoate, calcium propionate, sodium propionate, butylbenzoic acid, dimethyl fumarate and other preservatives. Sodium diacetate needs to be sealed and stored in a cool place below 40 degrees Celsius for sun protection and moisture protection. |
| properties | white hygroscopic crystalline solid, soluble in water and soluble in oil. Odorless or slightly sour. Heat to above 150 ℃ for decomposition and combustible. 1g of this product is soluble in about 1mL of water. The pH of the 10% solution is 4.5~5.0. |
| Anti-corrosion and anti-mildew mechanism | The anti-corrosion and anti-mildew effect of sodium diacetate comes from acetic acid, and the compatibility between acetic acid molecules and lipid compounds is better. It can penetrate the cell wall (undissociated acetic acid can penetrate the cell wall of mold tissue more effectively than ionized acetic acid), denaturation of intracellular proteins, thereby achieving a bactericidal effect. sodium diacetate mainly interferes with the interaction of enzymes by effectively penetrating the cell wall of mold, inhibiting the production of mold, so as to achieve the functions of high efficiency anti-mold and anti-corrosion. From the perspective of chemical molecular structure, sodium diacetate is a bimolecular salt with short hydrogen bonds and contains free acetic acid molecules that can release 40%. It is acidic in an aqueous solution, and the released acetic acid can penetrate into the mold tissue The cell wall interferes with the system of various enzymes in the cell to produce an effect, denature the protein in the cell, inhibit the growth and reproduction of microorganisms, and thus play an antibacterial effect. But it has little effect on the lactic acid bacteria and baker's yeast needed in food, and can protect the nutrients of food. This characteristic makes sodium diacetate listed as a very unusual food additive. Sodium diacetate has a strong inhibitory effect on fungi (including fungi, molds, and bacteria). The single molecule acetic acid in the molecule can reduce the pH value of the substance, and has good compatibility with the ester compound, so it can penetrate through the cell wall and effectively penetrate into the cells of the fungus tissue, interfere with the interaction of enzymes between cells, Promote the denaturation of bacterial proteins, and change the cell morphology and structure, achieve the purpose of dehydration and death of the bacteria, and play an antibacterial and antiseptic role. Since SDA is a highly effective inhibitor of molds and bacteria, especially has a strong inhibitory effect on aflatoxin, it can effectively inhibit human consumption of meat, vegetables, fruits, corn, wheat, peanuts, grains, The occurrence, growth and spread of more than 10 kinds of mycots (spores) and 4 kinds of bacterial nuclides common in beans, bread and other agricultural products. |
| use | 1. sodium diacetate is a multifunctional edible chemical. Mainly used as food and feed industry preservatives, antifungal agents, chelating agents, flavoring agents, PH regulator, meat preservation agent, is also the main ingredients of compound antifungal agents 2. This product can be mixed with other flavoring agents, sweeteners. Used as a sour agent for food, as well as an antifungal and food quality improver. Widely used as anti-mold additives for food, feed, grains and silage (mainly for anti-mold preservation and improving nutritional value). In the printing and dyeing industry, it is used as acidifier, homogenizer, buffer, polyvalent chelating agent, rust inhibitor and mildew inhibitor for bread. Preservative; Antifungal agent; Acidity regulator: chelating agent. Used as a preservative, my country stipulates that it can be used in cereals and instant soy foods, and the maximum usage is 1 g/kg. It can also be used as a feed additive chelating agent. as a preservative, China stipulates that it can be used in cereals and ready-to-eat soy foods, with a maximum usage of lg/kg. It can also be used as a feed additive and chelating agent. is a new type of food and feed anti-mold preservatives, sour agents and improvers. It is used as a chelating agent, homogenizing agent and mordant in the industrial field. Sodium diacetate is a multifunctional Edible chemicals. It is mainly used as preservative, antifungal agent, chelating agent, flavoring agent, PH regulator, preservative of meat products in food and feed industry, and is also the main ingredient of compound antifungal. |
| content analysis | sodium acetate content take 0.5g (accurate to 1mg) of sample and dissolve in 50ml glacial acetic acid. Titration with 0.1 mo1/L perchloric acid and potentiometric determination of endpoint. Perchloric acid is equivalent to 8.203mg of sodium acetate (CH3COONa) per ml of 0.1mol/L. About 4g of free acetic acid is accurately weighed, dissolved in 50m1 water, several drops of phenolphthalein test solution (TS-167) are added, and titrated with 1mol/L sodium hydroxide. Each mL1mol/L sodium hydroxide is equivalent to 60.05mg of acetic acid (CH3COOH). |
| toxicity | ADI 0~15 mg/kg(FAO/WHO,2001). LD50 4.968 g/kg (rat, oral) GRAS(FDA,§ 184.1754,2000). |
| usage limit | GB 2760~96(g/kg): cereal and soy vegetarian food, fried potato chips, 1 g/kg; Puffed food, seasoning, compound seasoning, 10.0 g/kg. FDA,§ 184.1785(1994,%): Baked products, 0.4; Various oils, meat products, fudge, 0.1; 0.25 sauce; Snack food and soup 0.05. EEC: It is stipulated that it can be used for bread and formed chips. |
| production method | acetic acid reacts with sodium carbonate; 5.3g(0.05 mo1) of sodium carbonate and 2mL of water are added to the reaction bottle; 12.0g(0.2 mo1) of glacial acetic acid is slowly added by stirring and heating to 40 ℃. After dropping, react at 80 ℃ for 4 hours, cool and crystallize, and filter. The filtrate was reconcentrated and crystallized, and the white crystals were combined twice. The product was dried to 13.6g with a yield of 95.8%. Acetic acid-acetic anhydride reacts with sodium carbonate to add 9.2g of sodium carbonate to 8.4mI. After uniform wetting, add 13mL acetic acid in batches. After stirring for a certain period of time, the product is 24.6g after standing and drying. 5.3g(0.05 m01) of sodium carbonate and 3mL of water can also be put into a reaction bottle, stirred and mixed to raise the temperature to 40%, 6.0g(0.1 mo1) of glacial acetic acid and 5.1g(0.05 m01) of acetic anhydride can be added alternately, and the reaction can be continued at 70 ℃ for 3 hours after dropping. Cool to room temperature, crystallize and filter, concentrate and recrystallize the filtrate. The two crystals were combined and dried to obtain 13.7g of product with 96.5% yield. The gas phase reaction of acetic acid and sodium acetate uses nitrogen or carbon tetrachloride as the flow medium, and sodium acetate and acetic acid are reacted in a fluidized bed reactor according to stoichiometry at 20~200 ℃ to prepare sodium diacetate. This method has a large production capacity, but the conditions are strictly controlled, and the acid in the exhaust gas must be recovered. Acetic acid reacts with sodium acetate in 45% ethanol. 8.2g(0.1 mo1) of sodium acetate is added to 5mL of 50% ethanol. After stirring evenly, heat to 60 ℃, start dropping 6.0g(0.1 mo1) sodium acetate, and continue stirring at 60~80 ℃ for 4 hours. Then cool to room temperature, let it stand for crystallization, filter to obtain white crystals, concentrate the filtrate and recrystallize, and dry to obtain 13.3g of sodium diacetate with 93.7% yield. (1) Acetic acid reacts with sodium carbonate. Add 5.3g(0.05mol) of sodium carbonate and 2mL of water into the reaction bottle, stir and raise the temperature to 40 ℃, and slowly add 12.0g(0.2mol) of glacial acetic acid dropwise. After dropping, react at 80 ℃ for 4 hours, cool, crystallize and filter. The filtrate was reconcentrated and crystallized, combined with white crystals twice, dried to obtain 13.6g of product with 95.8% yield. (2) Acetic acid-acetic anhydride reacts with sodium carbonate. Add 9.2g of sodium carbonate to 8.4mL to obtain acetic anhydride, and add 13mL of acetic acid in batches after uniform wetting. After stirring for a certain period of time, the product is 24.6g after standing and drying. 5.3g(0.05mol) of sodium carbonate and 3mL of water can also be put into the reaction flask, stirred and mixed to 40 ℃, 6.0g(0.1mol) of glacial acetic acid and 5.1g(0.05mol) of acetic anhydride can be added alternately, and the reaction can be continued at 70 ℃ for 3 hours after dropping. Cool to room temperature, crystallize and filter, concentrate and recrystallize the filtrate. The two crystals were combined and dried to obtain 13.7g of product with 96.5% yield. (3) Acetic acid reacts with sodium acetate in gas phase. Using nitrogen or carbon tetrachloride as the flow medium, sodium acetate and acetic acid are measured in a fluidized bed reactor according to the chemical formula, and the sodium diacetate is prepared by reacting at 20-200°C. This method has a large production capacity, but the conditions are strictly controlled, and the acid in the exhaust gas must be recovered. (4) Acetic acid reacts with sodium acetate in 45% ethanol. 8.2g(0.1mol) of sodium acetate was added to 5mL of 50% ethanol. Stir evenly and heat to 60 ℃. 6.0g(0.1mol) of sodium acetate was added dropwise, and the stirring reaction was continued at 60-80 ℃ for 4 hours. Then cool to room temperature, let it stand for crystallization, filter to obtain white crystals, concentrate the filtrate and recrystallize, and dry to obtain 13.3g of sodium diacetate with 93.7% yield. It is obtained by neutralizing acetic acid and equimolar sodium carbonate, concentrating, refining, and crystallization. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:47
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View History
126-96-5
3-Indoxyl-beta-D-glucopyranoside
ERGOLD
5-chloro-2H-indazole-3-carbaldehyde
FEMA 2708
2-Bromomethyl-4,7-dihydro-[1,3]dioxepine
68608-08-2
2-Methylphenol
1H-Perimidin-2(3H)-one, 1-[3-(dimethylamino)propyl]-
Serrapeptase
3-Indoxyl-beta-D-glucopyranoside
ERGOLD
5-chloro-2H-indazole-3-carbaldehyde
FEMA 2708
2-Bromomethyl-4,7-dihydro-[1,3]dioxepine
68608-08-2
2-Methylphenol
1H-Perimidin-2(3H)-one, 1-[3-(dimethylamino)propyl]-
Serrapeptase
Raw Materials for 126-96-5