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Molecule
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 Mass
- 142.20 g/mol
Identifiers
CAS Registry Number
97-86-9
SMILES
C=C(C)C(=O)OCC(C)C
InChI Key
RUMACXVDVNRZJZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3
Names and Synonyms
- Isobutyl Methacrylate Common Name
- 2-Propenoic acid, 2-methyl-, 2-methylpropyl ester Synonym
- Methacrylic acid, isobutyl ester Synonym
- Isobutyl methacrylate Synonym
- Isobutyl α-methylacrylate Synonym
- 2-Methylpropyl methacrylate Synonym
- Isobutyl 2-methyl-2-propenoate Synonym
- NSC 18607 Synonym
- I 205 (methacrylate) Synonym
- I 205 Synonym
- Light Ester IB Synonym
- Plexigum Q 611 Synonym
- Acryester IB Synonym
- Blemmer IBMA Synonym
- Visiomer i-BMA Synonym
- 2-Methyl-acrylic acid isobutyl ester Synonym
- 2-Methylpropyl 2-methylprop-2-enoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.20 g/mol | CAS Common Chemistry |
| 142.19799999999998 g/mol | RDKit | |
| 142.198 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8858 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OCC(C)C)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RUMACXVDVNRZJZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Isobutyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.7617 | RDKit |
| Molar Refractivity | 40.61100000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.625 | RDKit |
| 0.62 | chempirical lib | |
| Exact Mass | 142.099379688 g/mol | RDKit |
| Boiling Point | 155 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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Quick conversion
MW = 142.20 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H14O2.
