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1,3-Butyleneglycol Dimethacrylate
CAS: 1189-08-8 | C12H18O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1189-08-8
Molecular Formula:
C12H18O4
Molecular Mass:
226.27 g/mol
Names and Synonyms:
1,3-Butyleneglycol Dimethacrylate
2-Propenoic acid, 2-methyl-, 1,1′-(1-methyl-1,3-propanediyl) ester
Methacrylic acid, 1-methyltrimethylene ester
2-Propenoic acid, 2-methyl-, 1-methyl-1,3-propanediyl ester
1,3-Butanediol, dimethacrylate
1,3-Butyleneglycol dimethacrylate
1,3-Butylene dimethacrylate
SR 297
1-Methyltrimethylene methacrylate
1,3-Butanediyl dimethacrylate
X 970
NK Ester BG
Rocryl X 970
Rocryl 970
BGDMA
Acryester BD
n-Butane-1,3-diyl dimethacrylate
SR 297J
Identifiers:
SMILES:
C=C(C)C(=O)OCCC(C)OC(=O)C(=C)C
InChI:
InChI=1S/C12H18O4/c1-8(2)11(13)15-7-6-10(5)16-12(14)9(3)4/h10H,1,3,6-7H2,2,4-5H3
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 | 226.27 g/mol | CAS Common Chemistry |
| 226.27199999999993 g/mol | RDKit | |
| 226.120509056 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCC(OC(=O)C(=C)C)C)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H18O4/c1-8(2)11(13)15-7-6-10(5)16-12(14)9(3)4/h10H,1,3,6-7H2,2,4-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VDYWHVQKENANGY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,3-Butyleneglycol dimethacrylate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 2.0036 | RDKit |
| Molar Refractivity | 60.75800000000003 | RDKit |
