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Butanediol Dimethacrylate
CAS: 2082-81-7 | C12H18O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2082-81-7
- Molecular Formula
- C12H18O4
- Molecular Mass
- 226.27 g/mol
Identifiers
CAS Registry Number
2082-81-7
SMILES
C=C(C)C(=O)OCCCCOC(=O)C(=C)C
InChI Key
XOJWAAUYNWGQAU-UHFFFAOYSA-N
InChI
InChI=1S/C12H18O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,5-8H2,2,4H3
Names and Synonyms
- Butanediol Dimethacrylate Synonym
- 2-Propenoic acid, 2-methyl-, 1,1′-(1,4-butanediyl) ester Synonym
- Methacrylic acid, tetramethylene ester Synonym
- 2-Propenoic acid, 2-methyl-, 1,4-butanediyl ester Synonym
- 1,4-Butanediol, dimethacrylate Synonym
- 1,4-Butylene dimethacrylate Synonym
- Tetramethylene glycol dimethacrylate Synonym
- Oligotetramethylene glycol dimethacrylate Synonym
- Butanediol dimethacrylate Synonym
- Tetramethylene dimethacrylate Synonym
- 1,4-Butylene glycol dimethacrylate Synonym
- Tetramethylene methacrylate Synonym
- DMM 4 Synonym
- 1,4-Tetramethylene dimethacrylate Synonym
- NK Ester BD Synonym
- BDMA Synonym
- BDDMA Synonym
- SR 214B Synonym
- SR 214E Synonym
- Light Ester 1.4BG Synonym
- Sartomer 214 Synonym
- SR 214 Synonym
- Mhoromer MFM 405 Synonym
- n-Butane-1,4-diyl dimethacrylate Synonym
- Visiomer 1,4-BDDMA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.27 g/mol | CAS Common Chemistry |
| 226.27199999999993 g/mol | RDKit | |
| 226.272 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.011 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OCCCCOC(=O)C(=C)C)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H18O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,5-8H2,2,4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XOJWAAUYNWGQAU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 226.28 °C | CAS Common Chemistry |
| Name | Butanediol dimethacrylate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 2.0052 | RDKit |
| Molar Refractivity | 60.78000000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 226.120509056 g/mol | RDKit |
| Boiling Point | 110 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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.
External Resources
Related
Related molecules
Other compounds with formula C12H18O4.
