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Ethylhexyl Methacrylate
CAS: 688-84-6 | C12H22O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
688-84-6
Molecular Formula:
C12H22O2
Molecular Mass:
198.31 g/mol
Names and Synonyms:
Ethylhexyl Methacrylate
2-Propenoic acid, 2-methyl-, 2-ethylhexyl ester
Methacrylic acid, 2-ethylhexyl ester
1-Hexanol, 2-ethyl-, methacrylate
2-Ethylhexyl methacrylate
NSC 24173
NSC 32647
H 22 (methacrylate)
H 22
Acryester EH
Blemmer EHMA 25
Light Ester EH
Ethylhexyl methacrylate
Visiomer EHMA
Identifiers:
SMILES:
C=C(C)C(=O)OCC(CC)CCCC
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
Key Properties
Boiling Point
110 °C @ Press: 14 Torr
CAS Common Chemistry
Density
0.88 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 | 198.31 g/mol | CAS Common Chemistry |
| 198.30599999999993 g/mol | RDKit | |
| 198.161979944 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.880 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 110 °C @ Press: 14 Torr | 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 |
| Molar Refractivity | 59.07900000000005 | RDKit |
