Di(isobutyric acid)anhydride
Isobutyric anhydride
CAS: 97-72-3
Molecular Formula: C8H14O3
Di(isobutyric acid)anhydride - Names and Identifiers
| Name | Isobutyric anhydride |
| Synonyms | ANIB (iso-C3H7CO)2O Isobutyric anhydride Diisobutyric anhydride Bis(isobutyric)anhydride 2-methylpropanoic anhydride 2-Methylpropionic anhydride Di(isobutyric acid)anhydride Bis(2-methylpropionic)anhydride Bis(2-methylpropanoic)anhydride Isobutyric anhydride, distilled |
| CAS | 97-72-3 |
| EINECS | 202-603-6 |
| InChI | InChI=1/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3 |
Di(isobutyric acid)anhydride - Physico-chemical Properties
| Molecular Formula | C8H14O3 |
| Molar Mass | 158.2 |
| Density | 0.954 g/mL at 25 °C (lit.) |
| Melting Point | -56 °C (lit.) |
| Boling Point | 182 °C (lit.) |
| Flash Point | 152°F |
| Water Solubility | decomposes |
| Vapor Presure | 10 mm Hg ( 67 °C) |
| Vapor Density | 5.45 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless |
| Exposure Limit | ACGIH: TWA 10 ppmNIOSH: TWA 10 ppm(30 mg/m3); STEL 15 ppm(45 mg/m3) |
| BRN | 386267 |
| Storage Condition | Store below +30°C. |
| Sensitive | Moisture Sensitive |
| Explosive Limit | 1.09%, 87°F |
| Refractive Index | n20/D 1.406(lit.) |
| Physical and Chemical Properties | Character: colorless liquid. boiling point 185-187 ℃ relative density 0.951 flash point 59.4 ℃ |
| Use | Used as an intermediate in organic synthesis |
Di(isobutyric acid)anhydride - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R34 - Causes burns R21/22 - Harmful in contact with skin and 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.) |
| UN IDs | 2922 |
| WGK Germany | 3 |
| RTECS | NQ5550000 |
| FLUKA BRAND F CODES | 13-21 |
| TSCA | Yes |
| HS Code | 2915 90 70 |
| Hazard Class | 8 |
| Packing Group | II |
| Toxicity | LD50 orally in Rabbit: 266 mg/kg LD50 dermal Rabbit 475 mg/kg |
Di(isobutyric acid)anhydride - Reference Information
| LogP | 1.1 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | isobutyric anhydride is an important derivative of isobutyric acid, which can be used in the synthesis of pesticides and pharmaceutical intermediates, preparation of isobutyrate plasticizers and flavor, fragrance, etc., is an important organic chemical raw materials. |
| preparation | 1) isobutyric acid and acetic anhydride were separately fed into the reactive distillation column from different feed positions. The molar ratios of isobutyric acid to acetic anhydride in the feed were 3:1, 2:1, and 1:1, respectively. 2) the isobutyric acid and acetic anhydride entering the reaction rectification column are reacted and rectified in the reaction section of the isobutyric anhydride refining column; The operating pressure of the reaction rectification column is 20kPa. 3) in the reaction rectification column, the materials raised in the reaction section of the isobutyric anhydride refining column are rectified in the rectification section of the isobutyric anhydride refining column, and the materials lowered in the reaction section are rectified in the distillation section of the isobutyric anhydride refining column. The operating pressure of the isobutyric anhydride refining column was 100kPa. 4) The distillate at the top of the reaction distillation column is condensed by the first condenser to obtain acetic acid or a mixture of acetic acid, butyric acid and acetic anhydride, the discharge material below the distillation section of the reaction rectification column is processed by the first reboiler and then transported to the isobutyric anhydride refining column for refining through the first tank. 5) in the isobutyric anhydride refining tower, the ascending material is rectified in the rectification section of the isobutyric anhydride refining tower, and the descending material is rectified in the distillation section of the isobutyric anhydride refining tower; the distillate at the top of the isobutyric anhydride refining column is selected from acetic acid, isobutyric acid, acetic anhydride, acetic acid isobutyric anhydride and isobutyric anhydride, the distillate at the top of the isobutyric anhydride refining column is condensed by the second condenser and then sent back to the reaction rectification column to continue the reaction or back to the isobutyric anhydride refining column; the discharge material under the distillation section of the isobutyric anhydride refining column is treated by the second reboiler and then stored in the second tank to obtain isobutyric anhydride. The purity of isobutyric anhydride was 95.6%, 92.5% and 85.9%, respectively. The yields of isobutyric anhydride were 89.2%,87.1% and 80.7%, respectively. |
| Use | use as intermediate in organic synthesis |
| category | flammable liquid |
| flammability hazard characteristics | flammability |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Separate storage and transportation from oxidant and alkali |
| extinguishing agent | Water |
| spontaneous combustion temperature | 624 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:12
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