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Molecule
Isobornyl Methacrylate
CAS: 7534-94-3 · C14H22O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7534-94-3
- Molecular Formula
- C14H22O2
- Molecular Mass
- 222.33 g/mol
Identifiers
CAS Registry Number
7534-94-3
SMILES
C=C(C)C(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChI Key
IAXXETNIOYFMLW-WZQSAXRNNA-N
InChI
InChI=1/C14H22O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11-,14+/s2
Names and Synonyms
- Isobornyl Methacrylate Common Name
- 2-Propenoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel- Synonym
- Eternal EM 90 Synonym
- EM 90 Synonym
- Light Ester IB-XM Synonym
- IBOMA Synonym
- Photomer 2012 Synonym
- Visiomer Terra IBOMA Synonym
- Visiomer IBOMA Synonym
- Sarbio 6105 Synonym
- SR 423D Synonym
- Methacrylic acid, isobornyl ester Synonym
- 2-Propenoic acid, 2-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo- Synonym
- Isoborneol methacrylate Synonym
- Isobornyl methacrylate Synonym
- SR 423 Synonym
- Light Ester IB-X Synonym
- Acryester IBX Synonym
- SR 423A Synonym
- IBXMA Synonym
- NK Ester IB Synonym
- Ageflex IBOMA Synonym
- Sipomer IBOMA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.33 g/mol | CAS Common Chemistry |
| 222.32799999999992 g/mol | RDKit | |
| 222.328 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.980 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OC1CC2CCC1(C)C2(C)C)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1/C14H22O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11-,14+/s2 | CAS Common Chemistry |
| InChI Key | InChIKey=IAXXETNIOYFMLW-WZQSAXRNNA-N | CAS Common Chemistry |
| Name | Isobornyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 3.320500000000002 | RDKit |
| 3.3205 | RDKit | |
| Molar Refractivity | 63.923000000000044 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7857 | RDKit |
| 0.79 | chempirical lib | |
| Exact Mass | 222.161979944 g/mol | RDKit |
| Boiling Point | 112-117 °C @ 2.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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MW = 222.33 g/mol; density = 0.980 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H22O2.
