Structural formula
| Business number | 02CM |
|---|---|
| Molecular formula | C8H14O3 |
| Molecular weight | 158.19 |
| label |
2-Methylpropionic anhydride, isobutyric anhydride, n-butyric anhydride, Isobutyric anhydride, (Iso-c3h7co)2o, 1-Methylpropanoic anhydride, 2-Methylpropanoic acid anhydride, 2-Methyl-propanoicacianhydride, 2-Methylpropanoiccidanhydride, Anhydrideisobutyrique, Isobutryic anhydride, Isobutyric acid anhydride, (CH3)2CHCO2COCH(CH3)2 |
Numbering system
CAS number:97-72-3
MDL number:MFCD00008913
EINECS number:202-603-6
RTECS number:NQ5550000
BRN number:386267
PubChem number:24881086
Physical property data
1. Properties: Colorless transparent liquid with pungent odor. [1]
2. Melting point (℃): -55.9~-52.9[2]
3. Boiling point ( ℃): 181.5~183[3]
4. Relative density (water=1): 0.954[4]
5. Relative vapor density (air=1): 5.45[5]
6. Saturated vapor pressure (kPa): 3.2 (92.4℃)[6]
7. Octanol/water partition coefficient: 1.24[7]
8. Flash point (℃): 59.44 [8]
9. Ignition temperature (℃): 329[9]
10. Explosion limit (%): 7.7 [10]
11. Lower explosion limit (%): 1.09[11]
12. Solubility: slightly soluble In water, miscible in ethanol and ether. [12]
13. Refractive index: 1.406
Toxicological data
1. Acute toxicity No data available
2. Irritation No data available
Ecological data
1. Ecotoxicity No data available
2. Biodegradability No data available
3 .Non-biodegradability No information available
4. Other harmful effects[13] This substance is harmful to the environment and should be specially Pay attention to water pollution.
Molecular structure data
1. Molar refractive index: 40.83
2. Molar volume (cm3/mol): 161.9
3. Isotonic specific volume (90.2K ): 374.9
4. Surface tension (dyne/cm): 28.7
5. Polarizability (10-24cm3): 16.18
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2
2. Number of hydrogen bond donors.??:0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 4
5. Number of tautomers :None
6. Topological molecule polar surface area 43.4
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 141
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Uncertain atoms Number of stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
1. Stability[14] Stable
2. Incompatible substances[15] Strong oxidants, strong bases, alkalis
3. Avoid contact with air[16] Humid air
4. Hazards of aggregation[17] No aggregation
Storage method
Storage Precautions[18] Stored in a cool, dry and well-ventilated warehouse. The storage temperature should not exceed 37℃. Keep away from fire and heat sources. The packaging must be sealed and protected from moisture. They should be stored separately from oxidants, alkalis, etc. and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None
Purpose
Used as an intermediate for synthesizing pesticides and drugs to prepare isobutyrate plasticizers, flavors, and spices. [19]
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