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126-96-5

Basic Information
CAS No.: 126-96-5
Name: Sodium Diacetate
Molecular Structure:
Molecular Structure of 126-96-5 (Sodium Diacetate)
Formula: C4H8NaO4
Molecular Weight: 143.1
Synonyms: Aceticacid, sodium salt, compd. with acetic acid (1:1) (8CI);Dykon;Sodium acetate(1:2);Sodium acid acetate;Sodium Diacetate (SDA);Sodium hydrogen diacetate;Sodium Diacetata, SDA;Aceticacid, sodium salt (2:1);
EINECS: 204-814-9
Density: 1.01 g/mL at 20 °C
Melting Point: 323-329 °C
Boiling Point: 117.1 °C at 760 mmHg
Flash Point: 40 °C
Solubility: soluble H2O [MER06]; slightly soluble alcohol; insoluble ether [HAW93]
Appearance: white crystalline powder
Hazard Symbols: CorrosiveC
Risk Codes: 35
Safety: 24/25-45-26-23
Transport Information: UN 2790
PSA: 77.43000
LogP: -1.15290
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    Quick Details CAS No.: 126-96-5 Other Names: Aceticacid, sodium salt, compd. with acetic acid (1:1) (8CI); MF: C4H8NaO4 EINECS No.: 204-814-9 Place of Origin: Jiangsu, China (Mainland) Type: Feed Grade Vitamins Efficacy

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    Product name: Sodium Diacetate CAS No.: 126-96-5 Molecule Formula:C4H7NaO4 Molecule Weight:142.09 Purity: 38.0% Package: 25kg/drum Description:White crystalline powder Manufacture Standards:Enterprise Standard TES

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    Sodium Diacetate

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Specification

The IUPAC name of Sodium diacetate is sodium acetic acid acetate. With the CAS registry number 126-96-5, it is also named as Acetic acid, sodium salt, compd. with acetic acid (1:1). The product's categories are Buffers A to ZMolecular Biology; Biological Buffers; Buffer Convenience Packaging; DNA & RNA Purification; Plant Nucleic Acid Purification; Reagents; Reagents Plant Molecular Biology. It is white crystalline powder which is a free flowing, dust free and readily available source of Acetic acid. It also has effective anti-mold, no toxic side effect, no residual, no teratogenicity and so on. 

The other characteristics of this product can be summarized as: (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)Flash Point: 40 °C; (13)Enthalpy of Vaporization: 23.7 kJ/mol; (14)Boiling Point: 117.1 °C at 760 mmHg; (15)Vapour Pressure: 13.9 mmHg at 25°C; (16)Exact Mass: 142.024203; (17)MonoIsotopic Mass: 142.024203; (18)Topological Polar Surface Area: 77.4; (19)Heavy Atom Count: 9; (20)Complexity: 65.6.

Preparation of Sodium diacetate: It can be obtained by the reaction of acetic acid and sodium carbonate. Adding 5.3g (0.05mo1) sodium carbonate and 2mL water into the reactor. After stirring and heating to 40 °C, adding 12.0g (0.2mo1) glacial acetic acid dropwise. After dropping, react at 80 °C for 4h. Cooling, crystallizing and filtering the material. And then concentrated and crystallized the filtrate. At last, dried the product to get 13.6g. The yieldis 95.8%.

Uses of Sodium diacetate: It can be used as an antiseptic for all kinds of feed, grains and food extending their shelf life. And it provides a solid source of acetic acid for use in dry products. It is also used as a flavouring in dry products, particularly to impart the flavour of vinegar. What's more, this chemical is used in bread, salt and vinegar flavour snacks, and instant soups.

When you are using this chemical, please be cautious about it as the following:
It can cause severe burns. When use it, people should not breathe vapour and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure. 
1. SMILES:[Na+].[O-]C(=O)C.O=C(O)C
2. InChI:InChI=1/2C2H4O2.Na/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+1/p-1 
3. InChIKey:BHZOKUMUHVTPBX-REWHXWOFAS