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1,6-Hexanediol Diacrylate
CAS: 13048-33-4 | C12H18O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13048-33-4
- Molecular Formula
- C12H18O4
- Molecular Mass
- 226.27 g/mol
Identifiers
CAS Registry Number
13048-33-4
SMILES
C=CC(=O)OCCCCCCOC(=O)C=C
InChI Key
FIHBHSQYSYVZQE-UHFFFAOYSA-N
InChI
InChI=1S/C12H18O4/c1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2/h3-4H,1-2,5-10H2
Names and Synonyms
- 1,6-Hexanediol Diacrylate Systematic Name
- 2-Propenoic acid, 1,1′-(1,6-hexanediyl) ester Synonym
- Acrylic acid, hexamethylene ester Synonym
- 2-Propenoic acid, 1,6-hexanediyl ester Synonym
- 1,6-Hexanediol diacrylate Synonym
- Hexamethylene diacrylate Synonym
- Hexamethylene acrylate Synonym
- Hexamethyleneglycol diacrylate Synonym
- 1,6-Hexanediyl diacrylate Synonym
- SR 238 Synonym
- 1,6-Hexamethylene diacrylate Synonym
- Sartomer SR 238 Synonym
- Setalux UV 2243 Synonym
- Hexaneglycol diacrylate Synonym
- HDDA Synonym
- Kayarad HDDA Synonym
- Light Acrylate 1,6HX-A Synonym
- 1,6-HDDA Synonym
- 1,6-Hexenediol diacrylate Synonym
- NK Ester A-HD Synonym
- C 716 Synonym
- Viscoat 230 Synonym
- Photomer 4017 Synonym
- 1,6HX-A Synonym
- AHD Synonym
- Sartomer 238 Synonym
- 1,6-Hexamethylenediol diacrylate Synonym
- Kayarad KS-HDDA Synonym
- Actilane 425 Synonym
- Light Ester 1.6HX-A Synonym
- Laromer HDDA Synonym
- HDODA Synonym
- Hexamethylenediol diacrylate Synonym
- Genomer 1223 Synonym
- NK Ester A-HD-N Synonym
- KS-HDDA Synonym
- SR 238F Synonym
- AgiSyn 2816 Synonym
- A-HD-N Synonym
- 1.6HX Synonym
- EM 221 Synonym
- C 6DA Synonym
- V 230 Synonym
- M 200 Synonym
- SM 626 Synonym
- M 200 (acrylate) Synonym
- Photomer 4017F Synonym
- SR 2389 Synonym
- EM 221TF Synonym
- SR 238NS Synonym
- Light Acrylate SR 238F Synonym
- SR 238B Synonym
- FA 126AS Synonym
- 1,2-Bisacryloyloxyhexane Synonym
- Miramer M 200 Synonym
- 1,6-Hexandiol diacrylate Synonym
- Newfrontier HDDA Synonym
- LM 254 Synonym
- Hexylene-1,6-diacrylate Synonym
- Doublemer HDDA Synonym
- Cognis 4017 Synonym
- Fancryl FA 126AS Synonym
- 1,6-Hexyleneglycol diacrylate Synonym
- SR 238TFN Synonym
- EM 2021 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.27 g/mol | CAS Common Chemistry |
| 226.27199999999996 g/mol | RDKit | |
| 226.272 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.01 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,6-Hexanediol_diacrylate | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCCCCCOC(=O)C=C)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C12H18O4/c1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2/h3-4H,1-2,5-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FIHBHSQYSYVZQE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | 1,6-Hexanediol diacrylate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | 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 | 158-165 °C @ 5 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
Related
Related molecules
Other compounds with formula C12H18O4.
