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Molecule
2-Ethylbutyl Acrylate
CAS: 3953-10-4 · C9H16O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3953-10-4
- Molecular Formula
- C9H16O2
- Molecular Mass
- 156.23 g/mol
Identifiers
CAS Registry Number
3953-10-4
SMILES
C=CC(=O)OCC(CC)CC
InChI Key
JGRXEBOFWPLEAV-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O2/c1-4-8(5-2)7-11-9(10)6-3/h6,8H,3-5,7H2,1-2H3
Names and Synonyms
- 2-Ethylbutyl Acrylate Synonym
- 2-Propenoic acid, 2-ethylbutyl ester Synonym
- Acrylic acid, 2-ethylbutyl ester Synonym
- 1-Butanol, 2-ethyl-, acrylate Synonym
- 2-Ethylbutyl acrylate Synonym
- NSC 6121 Synonym
- 2-Ethylbutyl prop-2-enoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.23 g/mol | CAS Common Chemistry |
| 156.22499999999997 g/mol | RDKit | |
| 156.225 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.8964 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 10 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(CC)CC)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C9H16O2/c1-4-8(5-2)7-11-9(10)6-3/h6,8H,3-5,7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JGRXEBOFWPLEAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -70 °C | CAS Common Chemistry |
| Name | 2-Ethylbutyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.1517999999999997 | RDKit |
| 2.1518 | RDKit | |
| Molar Refractivity | 45.22800000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 156.115029752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
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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Quick conversion
MW = 156.23 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H16O2.
