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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 Weight:
226.27199999999996 g/mol
Names and Synonyms:
1,6-Hexanediol Diacrylate
EM 2021
SR 238TFN
1,6-Hexyleneglycol diacrylate
Fancryl FA 126AS
Cognis 4017
Doublemer HDDA
Hexylene-1,6-diacrylate
LM 254
Newfrontier HDDA
1,6-Hexandiol diacrylate
Miramer M 200
1,2-Bisacryloyloxyhexane
FA 126AS
SR 238B
Light Acrylate SR 238F
SR 238NS
EM 221TF
SR 2389
Photomer 4017F
M 200 (acrylate)
SM 626
M 200
V 230
C 6DA
EM 221
1.6HX
A-HD-N
AgiSyn 2816
SR 238F
KS-HDDA
NK Ester A-HD-N
Genomer 1223
Hexamethylenediol diacrylate
HDODA
Laromer HDDA
Light Ester 1.6HX-A
Actilane 425
Kayarad KS-HDDA
1,6-Hexamethylenediol diacrylate
Sartomer 238
AHD
1,6HX-A
Photomer 4017
Viscoat 230
C 716
NK Ester A-HD
1,6-Hexenediol diacrylate
1,6-HDDA
Light Acrylate 1,6HX-A
Kayarad HDDA
HDDA
Hexaneglycol diacrylate
Setalux UV 2243
Sartomer SR 238
1,6-Hexamethylene diacrylate
SR 238
1,6-Hexanediyl diacrylate
Hexamethyleneglycol diacrylate
Hexamethylene acrylate
Hexamethylene diacrylate
1,6-Hexanediol diacrylate
2-Propenoic acid, 1,6-hexanediyl ester
Acrylic acid, hexamethylene ester
2-Propenoic acid, 1,1′-(1,6-hexanediyl) ester
Identifiers:
SMILES:
C=CC(=O)OCCCCCCOC(=O)C=C
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 226.27 g/mol | Legacy Database |
| density | 1.01 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/1,6-Hexanediol_diacrylate None | Legacy Database |
| cas-boiling-point | 158-165 °C @ Press: 5 Torr None | Legacy Database |
| cas-canonical-smile | O=C(OCCCCCCOC(=O)C=C)C=C None | Legacy Database |
| cas-density | 1.01 g/cm3 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=FIHBHSQYSYVZQE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | <25 °C None | Legacy Database |
| cas-name | 1,6-Hexanediol diacrylate None | Legacy Database |
| wikipedia-name | 1,6-Hexanediol diacrylate None | Legacy Database |
| LogP | 2.0052 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 226.27199999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 226.120509056 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 16 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 9 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.6 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 60.78000000000004 | RDKit |
