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Cyclohexyl Acrylate
CAS: 3066-71-5 | C9H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3066-71-5
Molecular Formula:
C9H14O2
Molecular Mass:
154.21 g/mol
Names and Synonyms:
Cyclohexyl Acrylate
2-Propenoic acid, cyclohexyl ester
Acrylic acid, cyclohexyl ester
Cyclohexyl acrylate
Sartomer SR 220
SR 220
Viscoat 155
NSC 18612
Viscoat 115
V 155
Cyclohexyl 2-propenoate
Blemmer CHA
Identifiers:
SMILES:
C=CC(=O)OC1CCCCC1
InChI:
InChI=1S/C9H14O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2,8H,1,3-7H2
Key Properties
Boiling Point
75 °C @ Press: 11 Torr
CAS Common Chemistry
Density
0.97 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 | 154.21 g/mol | CAS Common Chemistry |
| 154.20899999999997 g/mol | RDKit | |
| 154.099379688 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9705 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 75 °C @ Press: 11 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC1CCCCC1)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C9H14O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2,8H,1,3-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KBLWLMPSVYBVDK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyclohexyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 2.0483000000000002 | RDKit |
| Molar Refractivity | 43.16200000000001 | RDKit |
