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Hexyl Methacrylate
CAS: 142-09-6 | C10H18O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
142-09-6
Molecular Formula:
C10H18O2
Molecular Mass:
170.25 g/mol
Names and Synonyms:
Hexyl Methacrylate
2-Propenoic acid, 2-methyl-, hexyl ester
Methacrylic acid, hexyl ester
Hexyl alcohol, methacrylate
Hexyl methacrylate
ENT 25419
Hexyl 2-methyl-2-propenoate
n-Hexyl methacrylate
SR 211
NSC 24169
2-Methyl-2-propenoic acid hexyl ester
Identifiers:
SMILES:
C=C(C)C(=O)OCCCCCC
InChI:
InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h2,4-8H2,1,3H3
Key Properties
Boiling Point
162 °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 | 170.25 g/mol | CAS Common Chemistry |
| 170.25199999999995 g/mol | RDKit | |
| 170.130679816 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.880 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 162 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCCCCC)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h2,4-8H2,1,3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LNCPIMCVTKXXOY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hexyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.686000000000001 | RDKit |
| Molar Refractivity | 49.915000000000035 | RDKit |
