Isobutyl acrylate Isobutyl acrylate
Structural formula
| Business number | 02TV |
|---|---|
| Molecular formula | C7H12O2 |
| Molecular weight | 128.17 |
| label |
2-Acrylic acid-2-methylpropyl ester, Isobutyl acrylate, 2-Methylpropyl acrylate, 2-Propenoic acid isobutyl ester, 2-Propenoic acid isobutyl ester, Acrylated isobutyle, Isobutyl 2-propenoate, adhesive, fiber treatment agent |
Numbering system
CAS number:106-63-8
MDL number:MFCD00042865
EINECS number:203-417-8
RTECS number:AT2100000
BRN number:1749388
PubChem ID:None
Physical property data
1. Properties: colorless liquid with aromatic smell. [1]
2. Melting point (℃): -61.1[2]
3. Boiling point (℃): 132.8[3]
4. Relative density (water = 1): 0.89[4]
5. Relative vapor Density (air=1): 4.42[5]
6. Saturated vapor pressure (kPa): 1.08 (25℃)[6]
7. Heat of combustion (kJ/mol): -4025.2[7]
8. Critical temperature (℃): 315[8]
9. Critical pressure (MPa): 3.0[9]
10. Octanol/water partition coefficient: 2.22 [10]
11. Flash point (℃): 30 (OC) [11]
12. Ignition temperature (℃ ): 427[12]
13. Explosion upper limit (%): 8.0[13]
14. Explosion lower limit (%): 1.9[14]
15. Solubility: Slightly soluble in water, soluble in ethanol and ether. [15]
16. Refractive index (20ºC): 1.4150
17. Refractive index (25ºC): 1.4124
18 .Viscosity (mPa·s, 20ºC): 0.78
19. Liquid phase standard hot melt (J·mol-1·K-1) :255.8
Toxicological data
1. Acute toxicity[16]
LD50: 3700mg/kg (mouse oral)
2. Irritation[17]
Rabbit transdermal: 500mg, mild irritation (open stimulation test).
Rabbit eye: 500mg (24h), mild irritation.
Ecological data
1. Ecotoxicity[18] LC50: 2.09mg/L (96h) (fathead minnow)
2. Biodegradability No information yet
3. Non-biodegradability[19] In the air, when the hydroxyl radical concentration is 5.00×105/cm3, the degradation half-life is 1.2d (theoretical).
When the pH value is 7, 8, and 9, the hydrolysis half-life is 4a, 150d, and 15d respectively (theoretical).
Molecular structure data
1. Molar refractive index:35.93
2. Molar volume (cm3/mol): 143.0
3. Isotonic specific volume (90.2K): 321.7
4. Surface tension (dyne/cm): 25.6
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 14.24
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 106
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Stability[20] Stable
2. Incompatible substances[21] Strong oxidants, strong bases, strong acids
3. Conditions to avoid contact[22] Heating, contact with air
4. Aggregation hazards[23] Aggregation
Storage method
Storage Precautions[24] Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 37°C. The packaging must be sealed and must not come into contact with air. They should be stored separately from oxidants, acids, and alkalis, and avoid mixed storage. It should not be stored in large quantities or for long periods of time. 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 yet
Purpose
1. Used as an intermediate in organic synthesis. Used for manufacturing coatings, adhesives, fiber treatment agents and other raw materials.
2. Used as organic synthesis intermediate and acrylic resin monomer. [25]