PUROX S

PUROX S - Names and Identifiers

Name	Benzoic acid, sodium salt
Synonyms	PUROX S ucephan sobenate BENZOTRON(R) femanumber3025 SODIUM BENZOATE Sodium benzoate sodiumbenzoicacid Benzoic acid sodium salt Benzoic acid,sodium salt sodiumbenzoate,medicinal Benzoic acid, sodium salt benzoic acid sodium sigmaultra benzoic acid sodium crystalline
CAS	532-32-1
EINECS	208-534-8
InChI	InChI=1/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
InChIKey	WXMKPNITSTVMEF-UHFFFAOYSA-M

PUROX S - Physico-chemical Properties

Molecular Formula	C7H5NaO2
Molar Mass	144.10317
Density	1,44 g/cm3
Melting Point	>300 °C (lit.)
Boling Point	249.3°C at 760 mmHg
Flash Point	>100°C
Water Solubility	soluble
Solubility	Soluble in water, slightly soluble in alcohol, 1g soluble in 1 · 8ml of water, 1 · 4ml of boiling water, about 75ml of ethanol, 50ml of mixed solution (47 · 5ml of ethanol and 3 · 7ml of water).
Vapor Presure	0Pa at 20℃
Appearance	White crystalline powder
Color	White
Merck	14,8582
BRN	3572467
pKa	4.03[at 20 ℃]
PH	7.0-8.5 (25℃, 1M in H2O)
Storage Condition	room temp
Stability	Stable, but may be moisture senstive. Incompatible with strong oxidizing agents, alkalis, mineral acids.
Sensitive	Easily absorbing moisture
MDL	MFCD00012463
Physical and Chemical Properties	White crystalline or granular properties, or colorless powder, with a sweet astringent taste. soluble in water and ethanol, glycerol, methanol.
Use	Mainly used as food preservatives, also used in pharmaceutical products, dyes, etc

PUROX S - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R62 - Possible risk of impaired fertility R63 - Possible risk of harm to the unborn child R68 - Possible risk of irreversible effects R36 - Irritating to the eyes
Safety Description	S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany	1
RTECS	DH6650000
TSCA	Yes
HS Code	29163100
Toxicity	LD50 orally in rats: 4.07 g/kg (Smyth, Carpenter)

PUROX S - Upstream Downstream Industry

Raw Materials

Benzoic acid
Sodium carbonate
Toluene
Sodium hydroxide
Sodium bicarbonate

PUROX S - Reference

Reference

1. [IF=4.539] Xin Liu et al."Preparation and controlled inhibition behavior of Fe3O4/CS/inhibitors nanocomposite for carbon steel in 3.5% NaCl solution."Colloid Surface A. 2020 Sep;601:124985
2. [IF=4.952] Yulong Wei et al."Characterization of blueberry (Vaccinium corymbosum L.) catechol oxidases III binding mechanism in response to selected substrates and inhibitors."Lwt Food Sci Technol. 2022 Mar;158:113142

PUROX S - Nature

Open Data Verified Data

white particles or crystalline powder. No odor or a slight smell of benzoin. Soluble in water (25 ℃.53g/lOOmL), soluble in ethanol (1. 4G/lOOmL). Stable in air.

Last Update：2024-01-02 23:10:35

PUROX S - Preparation Method

Open Data Verified Data

prepared by neutralization of benzoic acid with soda ash, decolorization, filtration, concentration and drying.

Last Update：2022-01-01 10:09:50

PUROX S - Standard

Authoritative Data Verified Data

This line was prepared by reacting benzoic acid with sodium bicarbonate. The content of c7h5nao2 shall not be less than 99.0% calculated on a dry basis.

Last Update：2024-01-02 23:10:35

PUROX S - Trait

Authoritative Data Verified Data

This product is white particles, powder or crystalline powder; Odorless or microstrip odor, sweet and salty.
This product is soluble in water, slightly soluble in ethanol.

Last Update：2022-01-01 11:23:09

PUROX S - Introduction

A co-solvent for the serum bilirubin test.

Last Update：2022-10-16 17:25:58

PUROX S - Use

Open Data Verified Data

sodium benzoate is an important food preservative, which can prevent food spoilage caused by the action of microorganisms and prolong the shelf life of food. In the beverage, canned, fruit juice, cold food, soy sauce, vinegar and other food areas have a wide range of applications. See benzoic acid for scope of use and amount of use. It can also be used as a preservative in beverages.

Last Update：2022-01-01 10:09:50

PUROX S - Differential diagnosis

Authoritative Data Verified Data

The infrared absorption spectrum of this product should be consistent with that of the control (Spectrum set 234) (General 0402).
take about 0. 5g of this product, Add 10ml of water to dissolve, and identify the reaction of (1) and the identification reaction of benzoate (General rule 0301).

Last Update：2022-01-01 11:23:09

PUROX S - Safety

Open Data Verified Data

This product has low toxicity. The limit of application in food is 0.1%, and it is not allowed to be used in meat and vitamin bi. See benzoic acid.
packaging and storage see benzoic acid

Last Update：2022-01-01 10:43:29

PUROX S - Exam

Authoritative Data Verified Data

pH

take this product l.O g, add 20ml of water to dissolve, add 2 drops of phenolphthalein indicator solution; If it is light red, add sulfuric acid titration solution (0.05mol/L) 0.2 5 m l, light red should disappear; If colorless, add sodium hydroxide titration solution (0. Im o l/L) 0.2 5 m l, should be light red.

clarity and color of solution

take this product l.O g, add water 10mi to dissolve, check according to law (General rule 0901 and general rule 0902), the solution should be clear and colorless.

chloride

take 0.50g of this product, put it in the crucible, add nitric acid solution (L-10) 2 m l, mix well, and dry at 100°C until no obvious wet trace, calcium carbonate was added. 8G, moistened with a small amount of water, dried at 10 0V, carbonized at low temperature on electric furnace, and then burned in a muffle furnace at 600°C for 10 min. After cooling, the residue was dissolved with nitric acid solution 20nxl, the filtrate was placed in a 50 m l Cuvette, the porcelain crucible was washed with 15ml of water, and the filtrate was washed with water. Water was added to the scale, and the sample solution was used as the test solution. Another 0.8g of calcium carbonate was added with nitric acid solution 22. 5M l dissolution, filtration, filtrate 5M l colorimetric tube, plus standard sodium chloride solution 15.0ml, diluted with water to the scale, shake, as a control solution. In the two solutions, add silver nitrate solution 0.5M l, shake, place in the dark for 5 minutes after comparison, the turbidity of the test solution should be shallow than the turbidity of the control solution (0.03%).

sulfate

take 0.40g of this product, dissolve with 40ml of water, slowly add 4ml of dilute hydrochloric acid while stirring, let stand for 5 minutes, filter, take 20ml of filtrate and put it in 50ml Nessler's colorimetric tube, add water to the scale, shake, as a test solution; Take the standard potassium sulfate solution 2.4ml, put in 50ml Nessler colorimetric tube, add dilute hydrochloric acid 2ml, add water to the scale, shake, as a control solution. Add 5ml of barium chloride solution to each of the two solutions and shake well. The turbidity of the test solution should be shallower than that of the control solution (0. 12%).

phthalic acid

take this product 0. l g, add 1ml of water lm l and resorcinol sulfuric acid solution [take resorcinol 0_lg and dissolve in 10ml of dilute sulfuric acid (l-10)], heat at 120~125°C to remove water, continue heating for 90 minutes, the residue was dissolved with 5m l of water, and lm l was accurately measured. Sodium hydroxide solution (43-50) l0 m l was added, shaken and examined under UV lamp (365nm). Separately take potassium hydrogen phthalate (61mg), weigh it accurately, put it in 1000ml measuring flask, dissolve it with water and dilute it to scale, shake it well, take lm l and resorcinol sulfuric acid solution lm l accurately, treat it with the same method, the fluorescence intensity of the test solution should be weaker than that of the control solution.

loss on drying

take this product, in 105X: dry to constant weight, weight loss should not be over 0831 (general rule).

Heavy metals

take 2.0g of this product, add 0821 of water, stir constantly, add of dilute hydrochloric acid Dropwise, filter, take 25ml of filtrate, check according to law (General rule method), heavy metals should not be more than 10 parts per million.

arsenic salt

take anhydrous sodium carbonate lg, spread on the bottom and around the Crucible, then take this product 0.4t)g, put anhydrous sodium carbonate, wet with a small amount of water, after drying, first, charring was performed by burning with small fire, then full ashing was performed by burning at 500-600 ° C. After cooling, hydrochloric acid (5 ml) and water (23ml) were added to dissolve the charring, which was checked according to law (General rule 0822 Law 1), should comply with the provisions (0. 0005%).

Last Update：2022-01-01 11:23:10

PUROX S - Content determination

Authoritative Data Verified Data

take this product, dry to constant weight at 105°C, take about 0. 1 2G, precision weighing, add 20ml of ice fermented grains to dissolve, add 1 drop of crystal violet indicator solution, and use perchloric acid titration solution (O .lm o l/L) titration to the solution is green and the results of the titration are corrected with a blank test. Each lm l perchloric acid titration solution (0. lm o l/L) corresponds to 14.41 mg of {^ HsNaC ^.

Last Update：2022-01-01 11:23:11

PUROX S - Category

Authoritative Data Verified Data

pharmaceutical excipients, bacteriostatic agents.

Last Update：2022-01-01 11:23:11

PUROX S - Storage

Authoritative Data Verified Data

sealed storage.

Last Update：2022-01-01 11:23:11

PUROX S - Reference Information

FEMA	3025 \| SODIUM BENZOATE
LogP	1.88
NIST chemical information	Information provided by: webbook.nist.gov (external link)
EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
food preservative	1870, British scientist H.Fleck described the antiseptic effect of benzoic acid for the first time when seeking an acid to replace the well-known salicylic acid. He established the antiseptic effect of this substance. Because the safety research of sodium benzoate was not in-depth at that time, and the production technology was not mature enough, it was not used for food antiseptic for the first time until the beginning of this century, since then, it has become one of the most used preservatives in the world because of its low price. Sodium benzoate, also known as sodium benzoate, is currently a commonly used food preservative in the food industry in my country. It has an odorless or slightly benzoin smell and has a sweet and astringent taste. It is stable in the air and can absorb moisture when exposed to the air. It is naturally found in blueberries, apples, plums, cranberries, cranberries, prunes, cinnamon and cloves. Its bactericidal performance is weaker than benzoic acid. The bactericidal power of 1.180g sodium benzoate is about 1g benzoic acid. In acidic environment, sodium benzoate has obvious inhibitory effect on various microorganisms. When pH is 3.5, 0.05% solution can completely inhibit yeast growth, but when pH is above 5.5, it has poor effect on many molds and yeasts. There is almost no effect in alkaline solution. After sodium benzoate enters the human body, in the process of biotransformation, it combines with glycine to become uric acid, or combines with glucuronic acid to form glucuronide, which is completely excreted from the urine and does not accumulate in the body. Within the normal dosage range, it has no toxic effect on human body and is a safer preservative. Can be used for carbonated drinks, concentrated fruit juice, margarine, gum base, jam, jelly, soy sauce, etc. The body's daily allowable intake (ADI) is <5 mg/kg body weight (based on benzoic acid). Sodium benzoate is relatively lipophilic and easily penetrates the cell membrane into the cell body, interferes with the permeability of the cell membrane, and inhibits the absorption of amino acids by the cell membrane; enters the cell body to ionize and acidify the alkali storage in the cell, and inhibits the cell The activity of the respiratory enzyme system prevents the condensation reaction of acetyl-CoA, thereby achieving the purpose of food preservation. (Updated: 2020-02-02)
safety	the safety of sodium benzoate has been controversial in recent years. for example, toxicology is based on oral LD50 index of rats, sodium benzoate is 2700 mg/kg, while potassium sorbate is 4920 mg/kg(FAO/WHO,1994). At present, sodium benzoate is a food preservative allowed in GB2760 in China, which shows that the health Committee recognizes the safety of sodium benzoate in food at this stage. FDA stipulates that the sodium benzoate content in food shall not exceed 0.1% (by weight). Research by the International Chemical Safety Agency found that daily intake of 647-835mg/kg of body weight of sodium benzoate did not negatively affect health. Investigations have shown that excessive consumption of benzoic acid and its salts in the human body will cause liver metabolic dysfunction, elevated human blood pressure, abnormal heart and kidney function, and even cause muscle acidosis, fainting and asthma. Therefore, the scope of its application is shrinking day by day. Some countries such as Japan have stopped producing sodium benzoate and restricted its use.
solubility in water (g/100ml)	dissolved grams per 100ml of water: 53g/20 ℃
content analysis	take 1.5g of dried sample, put it into a 250ml conical flask, add 25ml of water to dissolve it, add 50ml of diethyl ether and bromophenol
toxicity	ADI 0~5 mg/kg. (in terms of benzoic acid, including the total ADI values of benzoic acid and its salts and esters; FAO/WHO,2001). LD50 4070mg/kg (rat, oral). GRAS(FDA,§ 184.1733,2000).
use limit	GB 2760-2002: same as "07001, benzoic acid". Gum gum based GMP (calculated as benzoic acid); Pre-mixed wine 0.2 g/kg. FAO/WHO(1984,mg/kg): margarine, meal olives, jam and jelly, pickled cucumber, pineapple juice 1000 with preservatives (used alone or in combination with acid, sorbic acid and its salts and sulfites, but sulfites do not exceed 500 and are only used for manufacturing); Mango jam 250; Frozen horns, fish pieces, fish stuffing, GMP. FDA, § 18.1733(2000):0.1%. Japan (calculated as benzoic acid, g/kg, g of this product): caviar 2.5 (2.95 of this product); Cool drinks, syrup and soy sauce 0.6 (0.7 of this product); Margarine 1 (if combined with sorbic acid and its salts, the combined amount is 1); Baked products are 1.0 with water jam and fruit juice (including concentrated fruit juice).
use	used in the pharmaceutical industry and plant genetic research, also used as dye intermediates, fungicides and preservatives preservatives; antimicrobial agents. Sodium benzoate is also an important acid food preservative. When used, it is converted into an effective form of benzoic acid. See benzoic acid for the scope and amount of use. In addition, it can also be used as a preservative for feed. This product is used as a food additive (preservative), a fungicide in the pharmaceutical industry, a mordant in the dye industry, a plasticizer in the plastic industry, and also as an intermediate in organic synthesis such as spices. cosolvent for serum bilirubin test. Fungicide. Preservative. Dye intermediates. Mainly used as food preservatives, but also used in pharmaceuticals, dyes, etc.
production method	is obtained by neutralizing benzoic acid and sodium bicarbonate. Add water and sodium bicarbonate to the neutralization pot and heat until boiling to dissolve into sodium bicarbonate solution. Add benzoic acid under stirring until the pH of the reaction solution is 7-7.5. Heat to make carbon dioxide escape, add activated carbon to decolorize for half an hour. Suction and filtration, the filtrate is concentrated and slowly put into the liquid tray of the tablet machine, dried and crushed by the drum to obtain sodium benzoate. Consumption quota benzoic acid (99.5%)1045 kg/t, sodium bicarbonate (98%)610 kg/t. In the neutralization pot, use 32% soda ash solution to neutralize benzoic acid until the Ph value is 7.5, and the neutralization temperature is controlled at 70 ℃. The neutralization liquid is decolorized with 0.3% activated carbon and then vacuum suction and filtration. The filtrate is concentrated and dried to form powdered sodium benzoate product. C6H5COOH Na2CO3 → C6H5COONa It is obtained by reacting benzoic acid prepared by toluene oxidation with sodium bicarbonate, sodium carbonate or sodium hydroxide. In a neutralization pot, benzoic acid is neutralized with 32% soda ash solution to a pH of 7.5, and the neutralization temperature is controlled at 70 ℃. The neutralization liquid is decolorized with 0.3% activated carbon and then vacuum suction and filtration. The filtrate is concentrated and dried to form powdered sodium benzoate product.
category	toxic substances
toxicity classification	poisoning
acute toxicity	oral administration-rat LD50 4070 mg/kg; Oral administration-mouse LD50: 1600 mg/m3/4 hours
stimulation data	skin-person 10%/1 hour positive
flammability hazard characteristics	combustible, the fire field discharges spicy and irritating smoke containing sodium oxide
storage and transportation characteristics	warehouse low temperature, ventilation, drying
fire extinguishing agent	water, carbon dioxide, dry powder, sand
toxic substance data	information provided by: pubchem.ncbi.nlm.nih.gov (external link)