triethyl 2-hydroxypropane-1,2,3-tricarboxylate
triethyl citrate
CAS: 77-93-0
Molecular Formula: C12H20O7
triethyl 2-hydroxypropane-1,2,3-tricarboxylate - Names and Identifiers
| Name | triethyl citrate |
| Synonyms | TEC citroflex2 Crodamol TC Citroflex 2 Triethylcitrate triethyl citrate Citric Acid Triethyl Ester Citronensaeuretriethylester triethyl 2-hydroxypropane-1,2,3-tricarboxylate 2,3-propanetricarboxylicacid,2-hydroxy-triethylester 2-hydroxy-propane-1,2,3-tricarboxylicacidtriethylester 1,2,3-Propanetricarboxylicacid,2-hydroxy-,triethylester 2-Hydroxy-1,2,3-propanetricarboxylic acid, triethyl ester 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester |
| CAS | 77-93-0 |
| EINECS | 201-070-7 |
| InChI | InChI=1/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3 |
| InChIKey | DOOTYTYQINUNNV-UHFFFAOYSA-N |
triethyl 2-hydroxypropane-1,2,3-tricarboxylate - Physico-chemical Properties
| Molecular Formula | C12H20O7 |
| Molar Mass | 276.28 |
| Density | 1.14 g/mL at 25 °C (lit.) |
| Melting Point | -55 °C |
| Boling Point | 235 °C/150 mmHg (lit.) |
| Flash Point | >230°F |
| JECFA Number | 629 |
| Water Solubility | 5.7 g/100 mL (25 ºC) |
| Solubility | H2O: soluble |
| Vapor Presure | 1 mm Hg ( 107 °C) |
| Vapor Density | 9.7 (vs air) |
| Appearance | Transparent liquid |
| Color | Clear |
| Odor | odorless |
| Merck | 14,2326 |
| BRN | 1801199 |
| pKa | 11.57±0.29(Predicted) |
| Storage Condition | Store below +30°C. |
| Refractive Index | n20/D 1.442(lit.) |
| MDL | MFCD00009201 |
| Physical and Chemical Properties | Character: colorless transparent liquid. Slight odor. boiling point 294 ℃ freezing point -55 ℃ relative density 1.1369 refractive index 1.4455 flash point 155 ℃ solubility in water solubility 6.5g/100 (25 ℃). Soluble in most organic solvents, insoluble in oils. It has good compatibility with most cellulose, polyvinyl chloride, polyvinyl acetate resin and chlorinated rubber. |
| Use | It is mainly used as a plasticizer for cellulose, vinyl and other thermoplastic resins, and also used in the coating industry. It can also be used as a berry type food flavor |
triethyl 2-hydroxypropane-1,2,3-tricarboxylate - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 20 - Harmful by inhalation |
| 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.) |
| WGK Germany | 1 |
| RTECS | GE8050000 |
| TSCA | Yes |
| HS Code | 2918 15 00 |
| Toxicity | LD50 orally in Rabbit: > 3200 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
triethyl 2-hydroxypropane-1,2,3-tricarboxylate - Standard
Authoritative Data Verified Data
This product is 2-hydroxypropane-1, 2, 3-triethyl tricarboxylate. It is prepared by esterification of citric acid and ethanol under the action of catalyst, and then refined by de-esterification, neutralization and water washing. Calculated as anhydrous, containing C12H2t)0 7 shall not be less than 99,0%.
Last Update：2024-01-02 23:10:35
triethyl 2-hydroxypropane-1,2,3-tricarboxylate - Trait
Authoritative Data Verified Data
- This product is colorless clear oily liquid.
- This product is soluble in ethanol, isopropanol or acetone, and soluble in water.
relative density
The relative density of this product (General 0601) in 2 5C for 1.135~1.139.
refractive index
The refractive index of this product (General 0622) is 1. 439~1.441 at 25°C.
Last Update：2022-01-01 11:23:49
triethyl 2-hydroxypropane-1,2,3-tricarboxylate - Differential diagnosis
Authoritative Data Verified Data
The infrared absorption spectrum of this product should be consistent with that of the reference product (General rule 0402).
Last Update：2022-01-01 11:23:49
triethyl 2-hydroxypropane-1,2,3-tricarboxylate - 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 to the solution showed blue, consumption of sodium hydroxide titration solution (0.1M d /L) the volume of 0. 5ml.
Related substances
take this product, add dichloromethane to dissolve and dilute to make a solution containing 30mg per lm l as a test solution; Take 1ml for precision measurement and put it in a 100m l measuring flask, add two gas methane dilution 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. 2 times (0. 2), the sum of the peak areas of each impurity shall not be greater than 0 .5 times (0 .5%).
moisture
take an appropriate amount of this product, according to the determination of moisture (General 0832 first method 1), the water content shall not exceed 0.25%.
ignition residue
The l .O g of this product shall be taken and inspected according to law (General Rule 0 8 4 1). The residue shall not exceed 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. 6 7G, add water 23ml to dissolve, add hydrochloric acid 5ml, check according to law (General rule 0822 first law), should comply with the regulations (0. 0003%).
Last Update：2022-01-01 11:23:50
triethyl 2-hydroxypropane-1,2,3-tricarboxylate - Content determination
Authoritative Data Verified Data
measured by gas chromatography (General 0521).
- chromatographic conditions and system suitability test a capillary column with an internal diameter of 35%, a column length of 30m and a liquid film thickness of 65% fXM was used as the stationary phase, and the starting temperature was 80°C, maintain 0.5 minutes, at a rate of 20°C per minute to 2 20°C, maintained for 30 minutes, the inlet temperature is 2 25°C; Detector temperature 2 7 5 C, flow rate per minute 2. 3ml. Take appropriate amount of triethyl citrate reference substance and acetyl triethyl citrate reference substance respectively, add dichloromethane to dissolve and dilute to prepare 30mg solution per lm l, take 1 ^ 1 injection of human gas chromatograph, the resolution of triethyl citrate peak and acetyl triethyl citrate peak should meet the requirements.
- determination of this product is about 300mg, precision weighing, adding methylene chloride to dissolve and dilute the solution containing 30mg per lm l, precision measuring l p l injection gas chromatography, record the chromatogram; Take an appropriate amount of triethyl citrate reference substance, determine by the same method, and calculate by peak area according to external standard method.
Last Update：2022-01-01 11:23:51
triethyl 2-hydroxypropane-1,2,3-tricarboxylate - Category
Authoritative Data Verified Data
pharmaceutical excipients, plasticizers.
Last Update：2022-01-01 11:23:51
triethyl 2-hydroxypropane-1,2,3-tricarboxylate - Storage
Authoritative Data Verified Data
sealed storage.
Last Update：2022-01-01 11:23:51
triethyl 2-hydroxypropane-1,2,3-tricarboxylate - Reference Information
| FEMA | 3083 | TRIETHYL CITRATE |
| freezing point | -55 ℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| content analysis | a sample of 1.5g was accurately weighed and placed in a ML standard-mouth flask, and 25ml of isopropyl alcohol and 25ml of water were added. Absorb 0.5mol/L sodium hydroxide 50m. l, into the mixed solution, add a number of zeolite tablets, connected with water cooling condenser. After refluxing for 1.5H, cool, rinse the condenser with about 20ml of water, add 5 drops of bromothymol blue solution (T5-56), and titrate the excess base with 0.5mol/L sulfuric acid. A blank test was also performed. Each mL of 0.5mol/L sodium hydroxide corresponds to 46.05mg of triethyl citrate (C17 H20O7). |
| toxicity | ADl 0-20mg/kg(FAO/WHO,2001). GRAS(FDA,§ 182.1911,2000). LD505900 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drinks 13, cold drinks 47, Candy '180, baked goods 230, pudding 10. FDA,§. 182.1911(1994): limited to dry protein, GMP is limited. |
| Application | It is mainly used as a plasticizer for cellulose, vinyl and other thermoplastic resins, and is also used in the coating industry, it can also be used as a berry-type food flavor solvent; Flavoring agent; Plasticizer; Chelating agent. This product is a non-toxic plasticizer, widely used in cellulose resin and vinyl resin plasticizer, food as leavening and preserving agent can be very good to improve the baking food foaming performance, improve the state of leavening, it is used as an antioxidant to stabilize soybean oil, salad oil, margarine, shortening and other edible fats and oils, as a flavoring agent to increase flavor in soft drinks cold drinks, confectionery, baked goods, and as a chelating agent and carrier solvent. Especially suitable for ink coating, non-toxic PVC granulation, pharmaceutical industry, children's soft toys, medical products, the deployment of flavors and fragrances, cosmetics manufacturing and other industries. plasticizer for pharmaceutical excipients and capsules |
| production method | is prepared by esterification of citric acid with ethanol under the catalysis of sulfuric acid. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 20:13:35
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