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2-Ethylhexyl Acrylate
CAS: 103-11-7 | C11H20O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
103-11-7
Molecular Formula:
C11H20O2
Molecular Mass:
184.28 g/mol
Names and Synonyms:
2-Ethylhexyl Acrylate
2-Propenoic acid, 2-ethylhexyl ester
Acrylic acid, 2-ethylhexyl ester
2-Ethylhexyl acrylate
2-Ethylhexyl 2-propenoate
NSC 4803
2EHA
Norsocryl 2-EHA
EHA
JR 910
Identifiers:
SMILES:
C=CC(=O)OCC(CC)CCCC
InChI:
InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3
Key Properties
Boiling Point
214-218 °C
CAS Common Chemistry
Melting Point
-90 °C
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 | 184.28 g/mol | CAS Common Chemistry |
| 184.27899999999994 g/mol | RDKit | |
| 184.14632988 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.880 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Ethylhexyl_acrylate | CAS Common Chemistry |
| Boiling Point | 214-218 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(CC)CCCC)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GOXQRTZXKQZDDN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -90 °C | CAS Common Chemistry |
| Name | 2-Ethylhexyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 2.9320000000000013 | RDKit |
| Molar Refractivity | 54.462000000000046 | RDKit |
