[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Names and Identifiers
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Physico-chemical Properties
Molecular Formula | C13H18O2
|
Molar Mass | 206.28 |
Density | 1.0364 (rough estimate) |
Melting Point | 77-78 °C |
Boling Point | 157 °C (4 mmHg) |
Specific Rotation(α) | [α]D20 -1~+1°(c=1,C2H5OH) |
Flash Point | 9℃ |
Water Solubility | insoluble |
Solubility | ethanol: 50 mg/mL. Insoluble in water. |
Vapor Presure | 0.000139mmHg at 25°C |
Appearance | White crystalline powder |
Color | white to off-white |
Merck | 14,4881 |
pKa | pKa 4.45± 0.04(H2O,t = 25±0.5,I=0.15(KCl))(Approximate) |
Storage Condition | 2-8°C |
Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
Refractive Index | 1.5500 (estimate) |
MDL | MFCD00010393 |
Physical and Chemical Properties | Melting point 75-78°C boiling point 157°C (4 mmHg) water-soluble insoluble
|
Use | Used as PG synthase inhibitor, with antipyretic analgesic and anti-inflammatory effects |
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Risk and Safety
Hazard Symbols | Xn - Harmful
|
Risk Codes | R22 - Harmful if swallowed
R63 - Possible risk of harm to the unborn child
R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R39/23/24/25 -
R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed.
R11 - Highly Flammable
|
Safety Description | S36 - Wear suitable protective clothing.
S61 - Avoid release to the environment. Refer to special instructions / safety data sheets.
S36/37 - Wear suitable protective clothing and gloves.
S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S16 - Keep away from sources of ignition.
S7 - Keep container tightly closed.
|
HS Code | 29163920 |
Toxicity | LD50 in male mice, rats (mg/kg): 495, 626 i.p.; 1255, 1050 orally (Orzalesi) |
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Upstream Downstream Industry
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Reference
Reference Show more | 1. Yan Chunni, Miao Furui, Huang Wen, Fan Yushan. Effects of Warming Acupuncture and Moxibustion on HIS and H_1R Expression in Uterus of Dysmenorrhea Model Rats [J]. Journal of Liaoning University of Traditional Chinese Medicine, 2019,21(03):137-140. 2. Xin Qi, Duoxia Xu, Jin Zhu, Shaojia Wang, Jingwei Peng, Wei Gao, Yanping Cao, Studying the interaction mechanism between bovine serum albumin and lutein dipalmitate: Multi-spectroscopic and molecular docking techniques, Food Hydrocolloids, volume 113, 2 3. [IF = 19.503] Cheng-Xin Chen et al."Non-covalent self-assembly synthesis of AQ2S @ rGO nanocomposite for the degradation of sulfadiazine under solar irradiation: The indispensable effect of chloride." Appl Catal B- Environ. 2021 Dec;298:120495 4. [IF = 10.182] Mengmeng Sun et al."Highly-efficient production of spherical co-agglomerates of drugs via an organic solvent-free process and a mechanism study." Green Chem. 2021 Apr;23(7):2710-2721 5. [IF = 9.147] Xin Qi et al."Studying the interaction mechanism between bovine albumin and lutein dipalmitate: multi-spectroscopic and molecular docking techniques." Food Hydrocolloid. 2021 Apr;113:106513 6. [IF = 7.514] Nan Zhang et al."Hydrophilic carboxyl supported immobilization of UiO-66 for novel bar sorptive extraction of non-steroidal anti-inflammatory drugs in food samples." Food Chem. 2021 Sep;355:129623 7. [IF = 6.331] Qiu Huang et al."Microfluidic spinning-induced heterotypic bead-on-string fibers for dual-cargo release and wind healing." J Mater Chem B .2021 Mar;9(11):2727-2735 8. [IF = 5.221] Jiao Qishu et al."Study on the Interactions Between Caffeoylquinic Acids With Bovine Serum Albumin: spectroscopy, Antioxidant Activity, LC-MSn, and Molecular Docking Approach." Front Chem. 2019 Dec;0:840 9. [IF = 4.759] Yan Gao et al."Novel solid-phase extraction filter based on a zirconium meta-organic framework for determination of non-steroidal anti-inflammatory drugs residues." J Chromatogr A.2021 Aug;1652:462349 10. [IF = 3.31] ShaoLi Lyu et al."Spectroscopic methodologies and computational simulation studies on the characterization of the interaction between human albumin and astragalin." J Biomol Struct Dyn. 2021;39(8):2959-2970 11. [IF = 3.167] Xuanming Zhang et al."Anti-inflammatory peptides and metabolomics-driven biomarkers discovery from sea cucumber protein hydrolysates." J Food Sci. 2021 Aug;86(8):3540-3549 12. [IF = 2.589] Yi Wen et al."Improvement of Drug-Loading Properties of Hydroxyapatite Particles Using Triethylamine as a Capping Agent: A Novel Approach." Crystals. 2021 Jun;11(6):703 13. [IF = 7.312] Yunyun Li et al."Mass transfer enhancement for rapid, selective extraction of pharmaceuticals by enlarging the microporous on isostructural zeolitic imidazolate Framework-8." SEPARATION AND PURIFICATION TECHNOLOGY. 2022 Jul;293:121102 |
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Standard
Authoritative Data Verified Data
This product is alpha-methyl -4 -(2-methylpropyl) phenylacetic acid. Calculated as dried product, the content of C13H1802 shall not be less than 98.5%.
Last Update:2024-01-02 23:10:35
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Trait
Authoritative Data Verified Data
- This product is white crystalline powder; Slightly specific odor.
- This product is soluble in ethanol, acetone, three gas methane or ether, almost insoluble in water; Soluble in sodium hydroxide or sodium carbonate solution.
melting point
The melting point of this product (General rule 0612 first method) is 74.5~77.5°C.
Last Update:2022-01-01 11:36:34
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Differential diagnosis
Authoritative Data Verified Data
- take this product and add 0.4% sodium hydroxide solution to make a solution containing about 0401 mg per 1ml for determination by UV-Vis spectrophotometry (general rule), there is maximum absorption at 265nm and 273nm wavelengths, minimum absorption at 245mn and 271nm wavelengths, and a shoulder at 259mn wavelengths.,
- The infrared absorption spectrum of this product should be consistent with that of the control (Spectrum set 943).
Last Update:2022-01-01 11:36:35
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Exam
Authoritative Data Verified Data
chloride
take this product l.O g, add 50ml of water, shake for 5 minutes, filter, take and continue the filtrate 25tnl, check according to law (General rule 0801), compare with the control solution made of standard gasification sodium solution, no more concentrated (0.010%).
Related substances
take this product, make the solution containing lOOmg in each lml with chloroform as the test solution; Take the appropriate quantity with precision, A solution containing 1 mg per 1 ml was prepared as a control solution by quantitative dilution with three gas methane. According to the thin layer chromatography (General 0502) test, absorb the above two solutions each 5H1, respectively, on the same silica gel G thin layer plate, with n-hexane-ethyl acetate-glacial acetic acid (15:5:1) for the development of the solvent, it was developed and dried, and sprayed with a dilute sulfuric acid solution of 1% potassium permanganate, heated at 120 ° C. For 20 minutes, and examined under a UV lamp (365mn). Test solution such as impurity spots, compared with the control solution of the main spot, not deeper.
loss on drying
take this product, with phosphorus pentoxide as desiccant, at 60°C under reduced pressure drying to constant weight, weight loss should not exceed 0.5% (General rule 0831).
ignition residue
not more than 0.1% (General rule 0841).
Heavy metals
after dissolving the product with 0821 of ethanol, add 2ml of acetate buffer (pH3.5) and an appropriate amount of water to make 25ml, and check according to law (General Principles, first law), containing no more than 10 parts per million of heavy metals
Last Update:2022-01-01 11:36:36
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Content determination
Authoritative Data Verified Data
take this product about 0.5g, precision weighing, add neutral ethanol (phenolphthalein indicator solution neutral) 50ml dissolved, add phenolphthalein indicator solution 3 drops, with sodium hydroxide titration solution (0.lmol /L) titration. Each 1 ml of sodium hydroxide titration solution (0.1 mol/L) corresponds to 20.63mg of C13H1802.
Last Update:2022-01-01 11:36:36
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Category
Authoritative Data Verified Data
antipyretic analgesic, non-steroidal anti-inflammatory drugs.
Last Update:2022-01-01 11:36:36
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Storage
Authoritative Data Verified Data
Last Update:2022-01-01 11:36:36
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Ibuprofen oral solution
Authoritative Data Verified Data
This product contains ibuprofen (C13H18O2) should be 93.0% to 107.0% of the label amount.
trait
This product is a light yellow to yellow solution.
identification
- Take 20ml of this product, adjust the pH value to 2.0 with 1 mol/L hydrochloric acid solution, filter, wash the residue with a small amount of water, and dry it. Take about 25mg of the residue, put it in a 0.4% measuring flask, add 0401 sodium hydroxide solution to dissolve and dilute to the scale, shake well, and measure by UV-Vis spectrophotometry (general rule), there is a maximum absorption at the wavelength of 265mn and 273nm, a minimum absorption at the wavelength of 245nm and 271mn, and a shoulder at the wavelength of 259nm.
- 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.
examination
- the pH value should be 7.0 to 9.0 (General 0631).
- others should comply with the relevant provisions under the item of oral solution (General rule 0123).
Content determination
- measured by high performance liquid chromatography (General 0512).
- chromatographic conditions and system suitability test with eighteen alkyl silane bonded silica gel as filler; Sodium acetate buffer (sodium acetate 6.13g, add water 750ml to dissolve, adjust the pH value to 2.5 with glacial acetic acid)-Acetonitrile (40:60) as mobile phase; The detection wavelength was 263nm. The number of theoretical plates is not less than 2500 based on the ibuprofen peak.
- for the determination, use a volume pipette, take an appropriate amount of this product for precision measurement, and quantitatively dilute it with methanol to make a solution containing 0.5mg of ibuprofen per 1 ml, as a test solution, take 20 u1 for precision measurement, injection of human liquid chromatography, record chromatogram; Another ibuprofen reference substance, the same method for determination. According to the external standard method to calculate the peak area, that is.
category
Same as ibuprofen.
specification
10ml : 0.lg
storage
sealed and stored in a cool place.
Last Update:2022-01-01 11:36:37
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Ibuprofen tablets
Authoritative Data Verified Data
This product contains ibuprofen (C13H18O2) more than 95.0% ~ 105.0% of the label amount.
trait
This product is sugar-coated tablet or film-coated tablet, and the remainder is White after coating.
identification
- take an appropriate amount of fine powder of this product, add 0.4% sodium hydroxide solution to dissolve and dilute to prepare a solution containing about mg of ibuprofen per 1 ml, filter, and take the filtrate, the same results were shown in the identification (1) Test under ibuprofen.
- take 5 tablets of this product, grind, add acetone 20ml to dissolve ibuprofen, filter, take the filtrate to volatilize dry, and measure after vacuum drying. The infrared absorption spectrum of this product should be consistent with the spectrum of the control (Spectrum set 943 figure).
- the retention time of the main peak of the test solution should be consistent with the retention time of the main peak of the control solution in the chromatogram recorded under the item containing the child.
examination
- dissolution the dissolution of this product was determined according to the dissolution and release determination method (General rule 0931 method 1), and the dissolution medium was 7.2 phosphate buffer (pH 100), and the rotation speed was rpm, operate according to the law, after 30 minutes, take 10ml of solution, filter, take the appropriate amount of filtrate, dilute with the dissolution medium quantitatively to make about 0 ibuprofen per 1 ml. 1 mg of solution, as a test solution; Another ibuprofen control, precision weighing, plus the appropriate amount of fermentation and dissolution and quantitative dilution of dissolution medium to make about 0.1 mg solution, as a control solution. Take the above two kinds of solution, according to the method under the content determination item, calculate the dissolution amount of each tablet. The limit is 75% of the labeled amount and shall be in accordance with the provisions.
- others shall be in accordance with the relevant provisions under the item of tablets (General rule 0101).
Content determination
- measured by high performance liquid chromatography (General 0512).
- chromatographic conditions and system suitability test with eighteen alkyl silane bonded silica gel as filler; Sodium gallate buffer (sodium acetate 6.13g, add water 750ml to dissolve, adjust the pH value to 2.5 with glacial acetic acid)-Acetonitrile (40:60) as mobile phase; The detection wavelength was 263mn. The number of theoretical plates shall not be less than 2500 calculated by ibuprofen peak.
- determination Method: Take 20 tablets of this product (sugar-coated tablets should be removed from the coating), closely weigh the tips, finely grind them, and accurately weigh an appropriate amount (about 50mg equivalent to ibuprofen), and place it in a 100ml measuring flask, add an appropriate amount of methanol, shake to dissolve ibuprofen, dilute to the scale with fermentation, shake, filter, take the filtrate as the test solution, and inject 20u1 into the liquid chromatograph, record the chromatogram; Take 25mg of ibuprofen reference product, weigh it accurately, put it in a 50ml measuring flask, add 2ml of fermentation to dissolve, dilute it to the scale with fermentation, shake it well, and measure with the same method. According to the external standard method to calculate the peak area, that is.
category
Same as ibuprofen.
specification
(1)0.lg (2)0.2g (3)0.4g
storage
sealed storage.
Last Update:2022-01-01 11:36:38
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Ibuprofen Capsules
Authoritative Data Verified Data
This product contains ibuprofen (C13H1802) should be labeled the amount of 93.0% to 107.0%.
trait
The content of this product is white crystalline powder or powder,
identification
- take an appropriate amount of the contents of this product, add 0.4% sodium hydroxide solution to dissolve and dilute to make a solution containing about 0.25mg per lml, filter, take the filtrate, and identify according to the item of ibuprofen (1) the same results were seen in one trial.
- take 5 capsules of this product, grind the content, add acetone 20ml to dissolve ibuprofen, filter, take the filtrate to volatilize dry, and measure after vacuum drying. The infrared absorption spectrum of this product should be consistent with the spectrum of the control (Spectrum set 943 figure).
- 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.
examination
- dissolution the dissolution of this product was determined according to the dissolution and release determination method (General rule 0931 method 1), and the dissolution medium was 7.2 phosphate buffer (pH 100), and the rotation speed was rpm, operate according to law, after 30 minutes, take 5ml of the solution, filter, take the filtrate as the test solution; Take the other ibuprofen control, precision weighing, an appropriate amount of methanol was added to dissolve and quantitatively diluted with the dissolution medium to prepare a solution containing about 0.2mg per 1 ml as a reference solution. Take the above two kinds of solution, according to the method under the content determination item, calculate the dissolution amount of each grain. The limit is 75% of the labeled amount and shall be in accordance with the provisions.
- others should comply with the relevant provisions under the capsule (General 0103).
Content determination
- measured by high performance liquid chromatography (General 0512).
- chromatographic conditions and system suitability test with eighteen alkyl silane bonded silica gel as filler; Sodium acetate buffer (sodium acetate 6.13g, add water 750ml to dissolve, adjust the pH value to 2.5 with glacial acetic acid)-Acetonitrile (40:60) as mobile phase; The detection wavelength was 263nm. The number of theoretical plates is not less than 2500 based on the ibuprofen peak.
- determine the contents under the item of loading difference, mix evenly, weigh an appropriate amount (about 50mg equivalent to ibuprofen) accurately, put it in a 100ml measuring flask, and add an appropriate amount of methanol, shake to dissolve ibuprofen, dilute to the scale with methanol, shake, filter, take the filtrate as the test solution, and inject 20u1 into the liquid chromatograph to record the chromatogram; in addition, 25mg of ibuprofen reference product was accurately weighed, placed in a 50ml measuring flask, added with 2ml of methanol to dissolve the solution, diluted with methanol to the scale, shaken well, and determined by the same method. According to the external standard method to calculate the peak area, that is.
category
Same as ibuprofen.
specification
0.2g
storage
sealed storage.
Last Update:2022-01-01 11:36:39
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Ibuprofen suspension drops
Authoritative Data Verified Data
This product contains ibuprofen (C13H18O2) should be 90.0% to 110.0% of the label amount.
trait
This product is milky white or colored suspension.
identification
- take an appropriate amount of this product and add 0.4% sodium hydroxide solution to make a solution containing about 0401 mg of ibuprofen per 1 ml (filtered if necessary), and measure it by UV-Vis spectrophotometry (general rule), there is maximum absorption at wavelengths of 265nm and 273NM.
- 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.
examination
- the pH value should be 2.0 to 6.5 (General 0631).
- relative density the relative density of this product should be 1.090~1.270 (General 0601).
- others should comply with the relevant provisions under oral suspension (General rule 0123).
Content determination
- measured by high performance liquid chromatography (General 0512).
- chromatographic conditions and system suitability test using eighteen alkyl silane bonded silica as filler; Methanol-acetonitrile-water-phosphoric acid (65:10:25:0.03) as mobile phase; the detection wavelength was 220nm. The number of theoretical plates should not be less than 1000 based on the calculation of ibuprofen peak.
- determination of this product, shake, precision weighing l.lg (about 40mg equivalent to ibuprofen), put it in a 50ml measuring flask, add 1ml of 1 mol/L sodium hydroxide solution, add appropriate amount of water, shake to dissolve ibuprofen, dilute it to the scale with water, shake well, filter, the continued filtrate was taken as the test solution, and 20u1 was accurately measured and injected into the human Liquid Chromatograph. The chromatogram was recorded and the ibuprofen reference substance was taken and determined by the same method. According to the external standard method to calculate the peak area, that is.
category
Same as ibuprofen.
specification
20ml : 0.8g
storage
light shielding, sealed storage.
Last Update:2022-01-01 11:36:40
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Lbuprofen Sustained-Refease Capsules
Authoritative Data Verified Data
This product contains ibuprofen (C13H1802) should be labeled the amount of 93.0% to 107.0%.
trait
The contents of this product are white spherical pellets.
identification
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 control solution.
examination
- dissolution of this product, according to the dissolution and release determination method (General rule 0931 first method), phosphate buffer (take potassium dihydrogen phosphate 68.05g, add lmol/L sodium hydroxide solution 56ml, dilute with water to 10 000ml, shake, pH value should be 6.0 0.05)900ml as dissolution medium, speed of 30 rpm, according to the law, after 1 hour, 2 hours, at 4 hours and 7 hours, take 5ml of each solution, immediately supplement the same temperature and the same volume of dissolution medium, filter, and take the chromatographic conditions under the item of content determination, the filtrate 20u1 was accurately weighed and injected into human liquid chromatograph, and the chromatogram was recorded. The ibuprofen reference product was about 15mg, which was accurately weighed and placed in a 50ml measuring flask, and 2ml methanol was added to dissolve, dilute to the scale with dissolution medium, shake, and determine with the same method. The elution amount of each particle at different times was calculated separately. The dissolution amount of each capsule of this product at 1 hour, 2 hours, 4 hours and 7 hours shall be 10% ~ 35%, 25% ~ 55%, 50% ~ 80% and more than 75% of the labeled amount, respectively, all shall be in accordance with the provisions.
- others should comply with the relevant provisions under the capsule (General 0103).
Content determination
- measured by high performance liquid chromatography (General 0512).
- chromatographic conditions and system suitability test with eighteen alkyl silane bonded silica gel as filler; Sodium acetate buffer (sodium acetate 6.13g, add water 750ml to dissolve, adjust the pH value to 2.5 with glacial acetic acid)-Acetonitrile (40:60) as mobile phase; The detection wavelength was 263nm. The number of theoretical plates is not less than 2500 based on the ibuprofen peak.
- determine the contents under the item of loading difference, mix evenly, weigh an appropriate amount (about 0.lg of ibuprofen) accurately, put it in a 200ml measuring flask, add 100ml of methanol, and shake it for 30 minutes, dilute to scale with water, shake, filter, take the filtrate as the test solution, take 20u1 injection of human liquid chromatograph with precision, record the chromatogram; Take 25mg ibuprofen reference, precision weigh, put 50ml measuring flask, add 25ml of methanol to dissolve, dilute to scale with water, shake, and measure with the same method. According to the external standard method to calculate the peak area, that is.
category
Same as ibuprofen.
specification
0.3g
storage
sealed storage.
Last Update:2022-01-01 11:36:40
[A-METHYL-4-ISOBUTYL]PHENYLACETIC ACID - Ibuprofen syrup
Authoritative Data Verified Data
This product contains ibuprofen (C13H1802) should be labeled the amount of 93.0% to 107.0%.
trait
This product is a light yellow-brown clear viscous liquid with aromatic odor.
identification
- Take 20ml of this product, adjust the pH value to 2.0 with 1 mol/L hydrochloric acid solution, add water to 20ml, mix well, filter, wash the residue with a small amount of water, dry, take about 25mg, put it in a 100ml measuring flask, add 0401 sodium hydroxide solution to dissolve and dilute to the scale, shake well, and measure by UV-Vis spectrophotometry (general rule), there is maximum absorption at 265nm and 273nm wavelengths, minimum absorption at 245nm and 271nm wavelengths, and a shoulder at 259mn wavelengths.
- 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.
examination
- the pH value should be 7.0 to 8.5 (General 0631).
- relative density the relative density of this product (General 0601) should not be less than 1.200.
- others shall comply with the relevant provisions under syrup (General rule 0116).
Content determination
- measured by high performance liquid chromatography (General 0512).
- chromatographic conditions and system suitability test with eighteen alkyl silane bonded silica gel as filler; Sodium acetate buffer (sodium acetate 6.13g, add water 750ml to dissolve, adjust the pH value to 2.5 with glacial acetic acid)-Acetonitrile (40:60) as mobile phase; The detection wavelength was 263nm. The number of theoretical plates is not less than 2500 based on the ibuprofen peak.
- for the determination, use a volume pipette, take an appropriate amount of this product with precision, dilute with methanol, and prepare a solution containing about 0.5mg of ibuprofen per 1 ml as a test solution, accurate measurement of 20u1 injection liquid chromatograph, record chromatogram; Another ibuprofen reference substance, the same method for determination. According to the external standard method to calculate the peak area, that is.
category
Same as ibuprofen.
specification
(l)10ml:0.2g (2)90ml:1.8g
storage
light shielding, sealed storage.
Last Update:2022-01-01 11:36:41