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Molecule
Ethylhexyl Methacrylate
CAS: 688-84-6 · C12H22O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 688-84-6
- Molecular Formula
- C12H22O2
- Molecular Mass
- 198.31 g/mol
Identifiers
CAS Registry Number
688-84-6
SMILES
C=C(C)C(=O)OCC(CC)CCCC
InChI Key
WDQMWEYDKDCEHT-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h11H,3,5-9H2,1-2,4H3
Names and Synonyms
- Ethylhexyl Methacrylate Common Name
- 2-Propenoic acid, 2-methyl-, 2-ethylhexyl ester Synonym
- Methacrylic acid, 2-ethylhexyl ester Synonym
- 1-Hexanol, 2-ethyl-, methacrylate Synonym
- 2-Ethylhexyl methacrylate Synonym
- NSC 24173 Synonym
- NSC 32647 Synonym
- H 22 (methacrylate) Synonym
- H 22 Synonym
- Acryester EH Synonym
- Blemmer EHMA 25 Synonym
- Light Ester EH Synonym
- Ethylhexyl methacrylate Synonym
- Visiomer EHMA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.31 g/mol | CAS Common Chemistry |
| 198.30599999999993 g/mol | RDKit | |
| 198.306 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.880 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OCC(CC)CCCC)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H22O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h11H,3,5-9H2,1-2,4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WDQMWEYDKDCEHT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethylhexyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 3.3221000000000025 | RDKit |
| 3.3221 | RDKit | |
| Molar Refractivity | 59.07900000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 198.161979944 g/mol | RDKit |
| Boiling Point | 110 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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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Quick conversion
MW = 198.31 g/mol; density = 0.880 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H22O2.
