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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
Names and Synonyms:
1,6-Hexanediol Diacrylate
2-Propenoic acid, 1,1′-(1,6-hexanediyl) ester
Acrylic acid, hexamethylene ester
2-Propenoic acid, 1,6-hexanediyl ester
1,6-Hexanediol diacrylate
Hexamethylene diacrylate
Hexamethylene acrylate
Hexamethyleneglycol diacrylate
1,6-Hexanediyl diacrylate
SR 238
1,6-Hexamethylene diacrylate
Sartomer SR 238
Setalux UV 2243
Hexaneglycol diacrylate
HDDA
Kayarad HDDA
Light Acrylate 1,6HX-A
1,6-HDDA
1,6-Hexenediol diacrylate
NK Ester A-HD
C 716
Viscoat 230
Photomer 4017
1,6HX-A
AHD
Sartomer 238
1,6-Hexamethylenediol diacrylate
Kayarad KS-HDDA
Actilane 425
Light Ester 1.6HX-A
Laromer HDDA
HDODA
Hexamethylenediol diacrylate
Genomer 1223
NK Ester A-HD-N
KS-HDDA
SR 238F
AgiSyn 2816
A-HD-N
1.6HX
EM 221
C 6DA
V 230
M 200
SM 626
M 200 (acrylate)
Photomer 4017F
SR 2389
EM 221TF
SR 238NS
Light Acrylate SR 238F
SR 238B
FA 126AS
1,2-Bisacryloyloxyhexane
Miramer M 200
1,6-Hexandiol diacrylate
Newfrontier HDDA
LM 254
Hexylene-1,6-diacrylate
Doublemer HDDA
Cognis 4017
Fancryl FA 126AS
1,6-Hexyleneglycol diacrylate
SR 238TFN
EM 2021
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
Key Properties
Boiling Point
158-165 °C @ Press: 5 Torr
CAS Common Chemistry
Melting Point
<25 °C
CAS Common Chemistry
Density
1.01 g/cm³
CAS Common Chemistry
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 |
| 226.27199999999996 g/mol | RDKit | |
| 226.120509056 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 |
| Boiling Point | 158-165 °C @ Press: 5 Torr | 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 | RDKit |
