77-94-1
Tributyl citrate(TBC)
CAS: 77-94-1
Molecular Formula: C18H32O7
77-94-1 - Names and Identifiers
| Name | Tributyl citrate(TBC) |
| Synonyms | Citroflex 4 N-BUTYLCITRATE TRIBUTYL CITRATE Tributyl citrate TRI-N-BUTYL CITRATE Tributyl citrate(TBC) TRIPHENYLBENZYLPHOSPHONIUM CHLORIDE tributyl 2-hydroxypropane-1,2,3-tricarboxylate 2,3-propanetricarboxylicacid,2-hydroxy-tributylester 1,2,3-Propanetricarboxylicacid,2-hydroxy-,tributylester 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester |
| CAS | 77-94-1 |
| EINECS | 201-071-2 |
| InChI | InChI=1/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3 |
| InChIKey | ZFOZVQLOBQUTQQ-UHFFFAOYSA-N |
77-94-1 - Physico-chemical Properties
| Molecular Formula | C18H32O7 |
| Molar Mass | 360.44 |
| Density | 1.043 g/mL at 20 °C (lit.) |
| Melting Point | ≥300°C(lit.) |
| Boling Point | 234 °C (17 mmHg) |
| Flash Point | 300 °C |
| Water Solubility | insoluble |
| Solubility | Miscible with acetone, ethanol, and vegetable oil;practically insoluble in water. |
| Vapor Presure | 1.09E-07mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear |
| Merck | 14,1564 |
| BRN | 1806072 |
| pKa | 11.30±0.29(Predicted) |
| Storage Condition | Store below +30°C. |
| Refractive Index | n20/D 1.445 |
| Physical and Chemical Properties | Colorless oily liquid, slightly odorous. melting point -20 ℃ boiling point 233 ℃ relative density 1.045 refractive index 1.4460 flash point 185 ℃ solubility insoluble in water, soluble in methanol, acetone, carbon tetrachloride, acetic acid, castor oil, mineral oil and other organic solvents. |
| Use | Mainly used as plasticizers for vinyl resins and cellulose resins |
77-94-1 - Risk and Safety
| Hazard Symbols | T - Toxic |
| Risk Codes | 25 - Toxic if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | TZ8608000 |
| TSCA | Yes |
| HS Code | 29181500 |
77-94-1 - Standard
Authoritative Data Verified Data
This product is 2-hydroxypropane-1, 2, 3-tricarboxylic acid tri-n-butyl ester. It is prepared by esterification of citric acid and n-butanol under the action of catalyst, and then refined by de-esterification, neutralization and water washing. Calculated as anhydrous, containing no less than 99.0% of C18H320 7.
Last Update：2024-01-02 23:10:35
77-94-1 - Trait
Authoritative Data Verified Data
- This product is colorless clear oily liquid.
- This product is soluble in ethanol, isopropanol or acetone, and almost insoluble in water.
relative density
The relative density of this product (General 0601) at 25°C is 1. 037~1.045 0
refractive index
The refractive index of this product (General 0622) is 1. 443~1.445 at 25°C.
Last Update：2022-01-01 11:23:52
77-94-1 - Differential diagnosis
Authoritative Data Verified Data
- 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.
- The infrared absorption spectrum of this product should be consistent with that of the reference product (General rule 0402).
Last Update：2022-01-01 11:23:52
77-94-1 - Exam
Authoritative Data Verified Data
acidity
take this product 16. 0g, add 16ml of neutral ethanol to the indicator solution of bromothymol blue, mix well, immediately add the indicator solution of bromothymol blue (0. 1% ethanol solution) several drops, with sodium hydroxide titration solution (0, lm o l/L) titration solution to blue, consumption of sodium hydroxide titration solution (O .lm o l/L) the volume must not exceed Q. 5ml.
Related substances
take this product, add dichloromethane to dissolve and dilute to make a solution containing 30mg per lml as a test solution; Take 1ml for precision measurement and put it in a 100ml measuring flask, dichloromethane was added to dilute to the scale, shake, as a control solution. According to the chromatographic conditions under the content determination item, if there are impurity peaks in the chromatogram of the test solution, the area of a single impurity peak shall not be greater than 0 .5 times (0 .5% ), the sum of each impurity peak area shall not be greater than 1 .5 times (1 .5%).
moisture
take an appropriate amount of this product, according to the determination method of moisture (General rule 0832 first method 1), the water content shall not exceed 0 .2%.
ignition residue
take the product l .O g, check according to law (General rule 0841), residue should not pass 0. 1%.
Heavy metals
The residue left under the item of taking the ignition residue shall be inspected according to law (General Principles 0821 second law) and shall not contain more than 10 parts per million of heavy metals.
arsenic salt
take this product 0.67g, add calcium hydroxide l.O g, mix, add water and stir evenly, after drying, first burn with a small fire to make charring, then burn at 500~600°C to make it ash completely, and let it cool, add hydrochloric acid 5M l and water 23ml to dissolve, check according to law (General Principles 0822 The first law), should comply with the provisions (0.0003%).
Last Update：2022-01-01 11:23:53
77-94-1 - Content determination
Authoritative Data Verified Data
measured by gas chromatography (General 0521).
- chromatographic conditions and system suitability test 35% phenyl-65% methyl polysiloxane was used as the stationary liquid with an inner diameter of 0 .3 2m m, column length 30m, liquid film thickness 0 .5 pm capillary column for the column, the initial temperature of 80°C, maintain 0 .5 minutes, and then heated to 220°C at a rate of 20°C per minute, and maintained for 30 minutes, the detector temperature was 275°C, and the inlet temperature was 225eC. The carrier gas was nitrogen at a flow rate of 2.3 ml per minute. Take the appropriate amount of Tri-n-butyl citrate reference substance and acetyl tributyl citrate reference substance respectively, add methylene chloride to dissolve and make the solution containing 30mg each l m, and take F1 to inject human gas chromatograph, tri-n-butyl citrate relative retention time 0 .9, acetyl tributyl citrate relative retention time 1 .0, Tri-n-butyl citrate peak and acetyl tributyl citrate peak separation degree should not be less than 1 .5; Repeated injection, Tri-n-butyl citrate Peak area of the relative standard deviation should not exceed 2 .0%.
- determination of this product is about 300mg, precision weighing, adding methylene chloride to dissolve and dilute to make a solution containing 30mg per lm l, precision measuring l p l injected into the gas chromatograph, record the chromatogram, in addition, an appropriate amount of Tri-n-butyl citrate reference substance was determined by the same method and calculated by peak area according to external standard method.
Last Update：2022-01-01 11:23:54
77-94-1 - Category
Authoritative Data Verified Data
pharmaceutical excipients, plasticizers.
Last Update：2022-01-01 11:23:54
77-94-1 - Storage
Authoritative Data Verified Data
sealed storage.
Last Update：2022-01-01 11:23:54
77-94-1 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Overview | tributyl citrate (TBC) is a good environmental plasticizer, lubricant. At room temperature for non-toxic, fruit flavor, colorless transparent oily liquid. Boiling point 170 °c (133.3), flash point (Open Cup) 185 °c. Soluble in most organic solvents. Small volatility, good compatibility with resin, high plasticizing efficiency, in Europe and the United States and other countries allow for food packaging and medical and health products, as well as children's soft toys, pharmaceuticals, medical products, flavors and fragrances, cosmetics manufacturing and other industries. Can be provided in the product of good cold resistance, water resistance and mold resistance. Resin plasticized by this product showed good transparency and low temperature winding performance, and in different media with low volatility and low extraction, good thermal stability, heat does not change color. The lubricating oil prepared with this product has good lubricating performance. |
| New non-toxic plastic plasticizer | at present, the commonly used plasticizer in industry is phthalate esters, which can induce cancer, the use of foreign countries has been strictly controlled, and China has also formulated relevant laws and regulations, which will gradually eliminate its use in food packaging materials, medical appliances and toys. Tributyl citrate (TBC) is a new type of non-toxic plastic plasticizer, which is widely concerned because of its good compatibility, high plasticizing efficiency, non-toxic, non-volatile and strong weather resistance, become the preferred alternative to phthalate esters of green products. With the enhancement of people's awareness of environmental protection and the improvement of environmental protection regulations, the development and production of tributyl citrate has an excellent development prospect. tributyl citrate is usually formed by esterification of citric acid and n-butanol under the action of a catalyst. The traditional catalyst is concentrated sulfuric acid. Although it has low price and high catalytic activity, it has serious equipment corrosion, the post-treatment process is complex, the reaction selection is poor, and the environmental pollution is serious, so the research on the catalyst that can replace the concentrated sulfuric acid is quite active. At present, many catalysts with good catalytic effect have been found: [sodium bisulfate catalyzed synthesis of tributyl citrate] sodium bisulfate monohydrate is a strongly ionic compound, which is easily soluble in water and strongly acidic in aqueous solution, however, it is insoluble in the reaction system of organic acid and alcohol, and can be used as a catalyst for esterification reaction. Research shows that the catalyst has high catalytic activity, good stability, high yield, easy separation, simple synthesis method, no corrosion, no pollution and other advantages. [solid Superacid Catalyzed Synthesis] superacid is a stronger acid than 100% sulfuric acid. Studies have shown that using it as a catalyst for esterification reaction has good selectivity, fast reaction speed, high yield, easy separation, easy operation, The catalyst is stable, can be reused, does not corrode equipment, no pollution, is a promising catalyst. [catalytic synthesis of p-toluenesulfonic acid] p-toluenesulfonic acid is a strong organic acid, which is used instead of concentrated sulfuric acid as a catalyst for esterification reaction, high activity, good selectivity, cheap and easy to get, less consumption, good color, is a suitable for industrial production of catalyst. [synthesis of tributyl citrate catalyzed by heteropolyacid] heteropolyacid is a strong acid of multi-Proton, the stronger its acidity is, the more conducive to the formation of salt, it provides more favorable conditions for the attack of other nucleophilic groups, thus speeding up the esterification reaction. It has non-volatile, good thermal stability, less pollution and can reduce the corrosion of equipment, is an ideal catalyst for esterification reaction. |
| Use | used as a gas chromatography stationary liquid, toughening agent for plastics, foam remover and solvent for nitric acid fiber plasticizer for polyvinyl chloride, polyethylene copolymer and cellulose resin. This product is a non-toxic plasticizer, which can be used for non-toxic PVC granulation, food packaging materials, children's soft toys, medical products, polyvinyl chloride, Vinyl Chloride Copolymer, cellulose resin plasticizer. mainly used as plasticizers for vinyl resins and cellulose resins |
| production method | 1. Citric acid and n-butanol (feed ratio 1 ∶ 1) in the role of sulfuric acid (feed amount of citric acid and n-butanol 0.3% of the total mass), reflux at 150 ℃ for 4~5H, the end point of esterification is when the acid value of the reactant falls below 1mg KOH/g. The product is decolorized by activated carbon, filtered, neutralized, washed with water and distilled under reduced pressure, and the kettle liquid is the finished product. Purification method: containing free acid and alcohol and other impurities. When refining, dry it with anhydrous potassium carbonate or sodium sulfate and rectification under reduced pressure. 2. Preparation method: a 1L round-bottom flask was charged with 315g(1.0mol) of citric acid (2), 500g(6.7mol) of n-butanol, and of concentrated sulfuric acid. A 60-cm fractionating column and water separator were installed, and the reaction was heated for dehydration, and 115-130 was dehydrated for about 4 hours, and the temperature of the reaction solution reached °c. Heating was continued to the reaction temperature of 155 °c and the butanol was recovered. It was then cooled to 50 °c and 4g of solid sodium carbonate was added in portions to neutralize the sulfuric acid until pH 5-6. The mixture was left overnight, filtered and distilled under reduced pressure to collect a fraction of 198-200 ° C./0.8-0.9kPa to obtain 460g of product (1) in a yield of 85%. [1] |
Last Update：2024-10-11 10:06:28
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