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Tert-Butyl Methacrylate
CAS: 585-07-9 | C8H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
585-07-9
Molecular Formula:
C8H14O2
Molecular Mass:
142.20 g/mol
Names and Synonyms:
Tert-Butyl Methacrylate
2-Propenoic acid, 2-methyl-, 1,1-dimethylethyl ester
Methacrylic acid, tert-butyl ester
tert-Butyl methacrylate
1,1-Dimethylethyl methacrylate
tert-Butyl α-methacrylate
Acryester TB
tert-Butyl 2-methylpropenoate
NSC 20957
Light Ester TB
tert-Butyl alcohol methacrylate
tert-Butyl 2-methylacrylate
Acryester TBMA
Identifiers:
SMILES:
C=C(C)C(=O)OC(C)(C)C
InChI:
InChI=1S/C8H14O2/c1-6(2)7(9)10-8(3,4)5/h1H2,2-5H3
Key Properties
Boiling Point
67 °C
CAS Common Chemistry
Density
0.87 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.20 g/mol | CAS Common Chemistry |
| 142.19799999999998 g/mol | RDKit | |
| 142.099379688 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.8746 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 67 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC(C)(C)C)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H14O2/c1-6(2)7(9)10-8(3,4)5/h1H2,2-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SJMYWORNLPSJQO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | tert-Butyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.9042 | RDKit |
| Molar Refractivity | 40.659000000000006 | RDKit |
