Back to Search
Isobutyl Methacrylate
CAS: 97-86-9 | C8H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
97-86-9
Molecular Formula:
C8H14O2
Molecular Weight:
142.19799999999998 g/mol
Names and Synonyms:
Isobutyl Methacrylate
2-Methylpropyl 2-methylprop-2-enoate
2-Methyl-acrylic acid isobutyl ester
Visiomer i-BMA
Blemmer IBMA
Acryester IB
Plexigum Q 611
Light Ester IB
I 205
I 205 (methacrylate)
NSC 18607
Isobutyl 2-methyl-2-propenoate
2-Methylpropyl methacrylate
Isobutyl α-methylacrylate
Isobutyl methacrylate
Methacrylic acid, isobutyl ester
2-Propenoic acid, 2-methyl-, 2-methylpropyl ester
Identifiers:
SMILES:
C=C(C)C(=O)OCC(C)C
InChI:
InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 142.20 g/mol | Legacy Database |
| density | 0.89 g/cm³ | Legacy Database |
| cas-boiling-point | 155 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O=C(OCC(C)C)C(=C)C None | Legacy Database |
| cas-density | 0.8858 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=RUMACXVDVNRZJZ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Isobutyl methacrylate None | Legacy Database |
| LogP | 1.7617 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.19799999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.099379688 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.61100000000001 | RDKit |
