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Send EmailButylparaben, SPF, Butoben, solbrol b, nipabutyl, Tegosept B, preserval b, butyl butex, BUTYL PARABEN, Butylparaben, Butyl paraben, Butyl Parasep,t butyl tegosept, tegosept butyl, BUTYL PARASEPT, Butyl Hydroxybenzoate, 94-26-8
Butyl paraben
CAS: 94-26-8
Molecular Formula: C11H14O3
Names and Identifiers
| Name | Butyl paraben |
| Synonyms | SPF Butoben solbrol b nipabutyl Tegosept B preserval b butyl butex BUTYLPARABEN Butylparaben Butyl paraben Butyl Parasept butyl tegosept tegosept butyl BUTYL PARASEPT butyl parabens n-Butyl paraben BUTYL CHEMOSEPT Butyl Chemosept aseptoform butyl Butyl Hydroxybenzoate BUTYL 4-HYDROXYBENZOATE BUTYL P-HYDROXYBENZOATE Butyl 4-hydroxybenzoate 4-(butoxycarbonyl)phenol p-Hydroxy butyl benzoate n-Butyl p-Hydroxybenzoate Butyl P-Hydroxybenzoate 2-butyl-4-hydroxybenzoic acid 4-Hydroxybenzoic acid butyl ester p-hydroxybenzoic acid n-butyl ester |
| CAS | 94-26-8 |
| EINECS | 202-318-7 |
| InChI | InChI=1/C11H14O3/c1-2-3-4-8-7-9(12)5-6-10(8)11(13)14/h5-7,12H,2-4H2,1H3,(H,13,14) |
| InChIKey | QFOHBWFCKVYLES-UHFFFAOYSA-N |
Physico-chemical Properties
| Molecular Formula | C11H14O3 |
| Molar Mass | 194.23 |
| Density | 1.28 |
| Melting Point | 67-70°C(lit.) |
| Boling Point | 156-157°C3.5mm Hg(lit.) |
| Specific Rotation(α) | (Et2O)-31.12 |
| Flash Point | 181℃ |
| JECFA Number | 870 |
| Water Solubility | <0.1 g/100 mL at 17 ºC |
| Solubility | Slightly soluble in water, soluble in alcohol, ether and chloroform. |
| Vapor Presure | 0.002-0.113Pa at 20-50℃ |
| Appearance | White crystalline powder |
| Color | White to almost white |
| Merck | 14,1584 |
| BRN | 1103741 |
| pKa | pKa 8.5 (Uncertain) |
| Storage Condition | 2-8°C |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong alkalies. |
| Refractive Index | 1.5115 (estimate) |
| MDL | MFCD00016478 |
| Physical and Chemical Properties | Properties white crystalline powder. Slightly special odor. melting point 69~72 ℃ density 1.28 solubility slightly soluble in water, soluble in alcohol, ether and chloroform. |
| Use | For antibacterial and antiseptic drugs, cosmetics and food |
Risk and Safety
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 2 |
| RTECS | DH1980000 |
| TSCA | Yes |
| HS Code | 29182900 |
Standard
This product is 4-hydroxybenzoic acid butyl ester, from n-butanol and p-Hydroxybenzoic acid esterification. The content of C u H u a shall be 98.0% to 102.0% calculated as dry.
Trait
- This product is white or off-white crystalline or crystalline powder.
- This product is easily soluble in ethanol, acetone or ether, slightly soluble in hot water, and almost insoluble in water.
melting point
The melting point of this product (General rule 0612) is 68 ~ 71C.
Differential diagnosis
- in the chromatogram recorded under the content determination item, the retention time of the main peak of the test solution should be consistent with the retention time of the main peak of the reference solution.
- take this product, dissolve and dilute with ethanol to make a solution containing about 5 liters per lm l, and measure it by UV-Vis spectrophotometry (General rule 0401), there is an absorption maximum at a wavelength of 258Nm.
- The infrared absorption spectrum of this product should be consistent with the control spectrum (Spectrum set 851).
Exam
acidity
take 2ml of solution under the items of clear degree and color, add 2m l of ethanol and 5 m l of water, shake well, add 2 drops of bromocresol green indicator solution, with sodium hydroxide titration solution (0. lmo/L) titration to blue, consumption of sodium hydroxide titration solution (0. lm o l/L) should not pass 0. lm l.
clarity and color of solution
take this product l. After being dissolved by adding 0901 of ethanol, the solution shall be clear and colorless (General rule 0902 and general rule 0901). If coloration occurs, the solution shall be colored with yellow or yellow-green No. 1 Standard Colorimetric solution (general rule, first method). Comparison, not deeper.
chloride
take this product 2. 0g, add water 50ml,80 * C water bath heating 5 minutes, cold, filtered; Take the filtrate 5.0, check according to law (General rule 0801), and standard sodium chloride solution 7. Compared with the control solution made of 0M l, it should not be more concentrated (0.035%).
sulfate
Take 2 5 m l of filtrate under chloride item, check according to law (General Rule 0 8 0 2 ) , and standard potassium sulfate solution 2 .4M l of the control solution should not be more concentrated (0.024%).
Related substances
take this product, add the mobile phase to dissolve and dilute the solution containing lm g per lm l as the test solution; Take lm l with precision and put it in a 100ml measuring flask, add the mobile phase to dilute to the scale, shake well, as the chromatographic conditions of the control solution under the content determination item, take the control solution 20ul, inject the human liquid chromatograph, adjust the detection sensitivity, the peak height of the main component peak is about 25% of the full scale, and then 2ul of the test solution and the control solution are respectively injected into the human liquid chromatograph, the chromatogram was recorded to 4 times the retention time of the main peak. If the impurity peak is shown in the chromatogram of the test solution, the area of the single impurity peak shall not be greater than 0 of the area of the main peak of the control solution. 4 times (0 .4% ) , the sum of each impurity peak area shall not be greater than 0 .8 times (0 .8%).
loss on drying
take this product, put it in a silica gel dryer, and dry it under reduced pressure to constant weight. The weight loss shall not exceed 0.5% (General rule 0831).
ignition residue
The l .O. g of this product shall be taken for inspection according to law (General Rule 0 8 4 1 ) , and the residue shall not exceed 0.1%.
Heavy metals
The residue left under the ignition residue item shall not contain more than 20 parts per million of heavy metals as determined by law (general chapter 0821 second method).
arsenic salt
take this product l.O g, add calcium hydroxide l.O g, mix, add a small amount of water, stir evenly, dry, first burn with small fire to charring, then burn at 500 ~ 600C to completely Ash, cool, add hydrochloric acid 5M l and water 23ML, according to the law inspection (General Principles 0822 The first law), should comply with the provisions (0.0002%).
Content determination
measured by high performance liquid chromatography (General 0512).
- chromatographic conditions and system applicability test using eighteen alkyl silane bonded silica gel as filler "with methanol -1% glacial acetic acid (60 : 40) as mobile phase, the detection wavelength was 254mn. Weigh the appropriate amount of the reference substance of methyl hydroxybenzoate and ethyl hydroxybenzoate, add the mobile phase to dissolve and dilute to make the solution containing 10mg per LML, take 20pl, inject the human liquid chromatograph, record the chromatogram, the degree of separation between the methyl paraben peak and the ethyl paraben peak should meet the requirements.
- determination of the appropriate amount of this product, precision weighing, plus mobile phase dissolution and quantitative dilution made per lm l containing hydroxyphenyl butyl ester 0. lm g solution, the precise amount of 20ul, injection of human liquid chromatography, record the chromatogram; Another amount of hydroxyphenyl butyl ester reference substance, the same method for determination. According to the external standard method to calculate the peak area, that is.
Category
pharmaceutical excipients, bacteriostatic agents.
Storage
sealed storage.
Reference Information
| FEMA | 2203 | BUTYL P-HYDROXY BENZOATE |
| LogP | 3.57 |
| properties | Butylparaben is a white crystalline powder, odorless asteless, soluble in ethanol, as a preservative, often mixed with isopropyl Ester utyl ester, etc. |
| Application | butylparaben has broad-spectrum antibacterial activity against Gram-positive and gram-negative bacteria, yeast and mold have better inhibition of growth. |
| content analysis | a sample of 2G (to the nearest 0.1mg) was taken, pre-dried on silica gel for 5h, and transferred into a flask. 40.0 of 1mol/L sodium hydroxide was added, and the side wall of the flask was rinsed with water. Cover the surface dish, boil for 1H with low heat and then cool. The bromothymol blue solution (TS-56) was added 5 drops, and the excess sodium hydroxide was titrated with 1mol/L sulfuric acid to make the solution color consistent with the buffer solution (pH 6.5) containing the indicator in the same proportion. In addition, a blank test was carried out with the reagent, and the necessary correction was made. Each ml of 1mol/L sodium hydroxide equivalent to this product (C11H14O3)194.2mg. |
| toxicity | ADI extension decision (FAO/WHO,2001). LD50 16.0g/kg (mouse, subcutaneous injection). The short-term toxicity test in mice has the report of inhibiting weight gain and causing acute dermatitis in human. In the parabens, this product has the best antiseptic effect, but the toxicity is also the greatest. |
| usage limit | Japan (1998, in terms of p-Hydroxybenzoic acid, data in parentheses are equivalent cost items, g/kg): Soy sauce 0.25g/L(0.35g/L), vinegar 0.1g/L(0.14g/L); Cool drinks and syrup 0.1(0.14); fruit sauce 0.2(0.28); Fruits and vegetables 0.012(0.016). |
| Use | antibacterial and antiseptic for drugs, cosmetics and food preservatives. Because of the small solubility in water, usually formulated into ethanol solution, acetic acid solution or sodium hydroxide solution. Several different esters are often used in order to improve solubility. For example, three parts of isobutyl Ester, four parts of isopropyl Ester, and three parts of butyl ester are formulated as a co-solvent mixture, and this mixture is used as an oil-in-water emulsifier. This preparation is convenient to be used in soy sauce and other foods, and its solubility can be increased by 2-3 times compared with butyl ester alone. For soy sauce, can be added in 5% sodium hydroxide solution of this product 20% ~ 25%, and then slowly added to the soy sauce has been heated to about 80 degrees. Acetic acid solutions or ester emulsifiers may also be used. The dosage of soy sauce is 0.05~0.10g/L. Acetic acid or sodium hydroxide solution can be used in vinegar. A solution of sodium hydroxide can be utilized in a refreshing beverage, but is usually used in combination with benzoic acid and Dehydroacetic acid. organic synthesis intermediates; Medicine, food, cosmetics, film and high-grade products of anti-corrosion additives; Reagents. As a food antiseptic fungicide is its main use, in p-Hydroxybenzoic acid esters, its antiseptic bactericidal power is the strongest, because of its poor water solubility, often used with other esters. use as antiseptic and disinfectant |
| production method | is obtained by esterification of p-Hydroxybenzoic acid with butanol. The butanol and p-Hydroxybenzoic acid were heated and dissolved together, and sulfuric acid was slowly added dropwise. After the addition, Reflux reaction was continued for 8 hours. After cooling, the mixture was added to a 4% sodium carbonate solution, the aqueous layer was separated, the butanol was driven out by steam, cooled, filtered to obtain a crude product, and recrystallized from ethanol (solubility in ethanol: 200g/100ml). The reaction of p-Hydroxybenzoic acid with butanol was catalyzed by sulfuric acid. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-mouse LD50: 13200 mg/kg; Intraperitoneal-mouse LD50: 230 mg/kg |
| stimulation data | Skin-guinea pig 5%/48 h mild |
| flammability hazard characteristics | thermal decomposition of spicy and irritating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | water, dry powder, foam, carbon dioxide |
