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2-Butoxyethyl Methacrylate
CAS: 13532-94-0 | C10H18O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13532-94-0
Molecular Formula:
C10H18O3
Molecular Mass:
186.25 g/mol
Names and Synonyms:
2-Butoxyethyl Methacrylate
2-Propenoic acid, 2-methyl-, 2-butoxyethyl ester
Methacrylic acid, 2-butoxyethyl ester
2-Butoxyethyl methacrylate
2-Butoxyethyl 2-methyl-2-propenoate
Light Ester BO
2-n-Butoxyethyl methacrylate
NSC 35170
2-Butoxyethyl metharylate
Identifiers:
SMILES:
C=C(C)C(=O)OCCOCCCC
InChI:
InChI=1S/C10H18O3/c1-4-5-6-12-7-8-13-10(11)9(2)3/h2,4-8H2,1,3H3
Key Properties
Boiling Point
122 °C @ Press: 12 Torr
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 | 186.25 g/mol | CAS Common Chemistry |
| 186.25099999999995 g/mol | RDKit | |
| 186.125594436 g/mol | RDKit | |
| Boiling Point | 122 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCOCCCC)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O3/c1-4-5-6-12-7-8-13-10(11)9(2)3/h2,4-8H2,1,3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DJKKWVGWYCKUFC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Butoxyethyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 1.9223999999999999 | RDKit |
| Molar Refractivity | 51.50000000000004 | RDKit |
