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1,4-Butanediol, Diacrylate
CAS: 1070-70-8 | C10H14O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1070-70-8
- Molecular Formula
- C10H14O4
- Molecular Mass
- 198.22 g/mol
Identifiers
CAS Registry Number
1070-70-8
SMILES
C=CC(=O)OCCCCOC(=O)C=C
InChI Key
JHWGFJBTMHEZME-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-8H2
Names and Synonyms
- 1,4-Butanediol, Diacrylate Systematic Name
- 2-Propenoic acid, 1,1′-(1,4-butanediyl) ester Synonym
- Acrylic acid, tetramethylene ester Synonym
- 2-Propenoic acid, 1,4-butanediyl ester Synonym
- 1,4-Butanediol, diacrylate Synonym
- 1,4-Butylene glycol diacrylate Synonym
- Tetramethylene diacrylate Synonym
- 1,4-Butylene diacrylate Synonym
- Tetramethylene glycol diacrylate Synonym
- Tetramethylene acrylate Synonym
- SR 213 Synonym
- Viscoat 195 Synonym
- Laromer BDDA Synonym
- Viscoat V 195 Synonym
- SR 213 (ester) Synonym
- SM 624 Synonym
- Fancryl FA 124SA Synonym
- Fancryl FA 124AS Synonym
- Miramer 204 Synonym
- 1,4-Bis(acryloyloxy)butane Synonym
- Butylene glycol diacrylate Synonym
- Butane-1,4-diyl diacrylate Synonym
- FA 124AS Synonym
- Sartomer 213 Synonym
- 1,4-Butanediol diacrylate Synonym
- n-Butane-1,4-diyl diacrylate Synonym
- M 204 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.22 g/mol | CAS Common Chemistry |
| 198.218 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCCCOC(=O)C=C)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JHWGFJBTMHEZME-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,4-Butanediol, diacrylate | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 1.2249999999999999 | RDKit |
| 1.225 | RDKit | |
| Molar Refractivity | 51.54600000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 198.089208928 g/mol | RDKit |
| Boiling Point | 132-138 °C @ 13 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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