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Pentaerythritol Triacrylate
CAS: 3524-68-3 | C14H18O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3524-68-3
Molecular Formula:
C14H18O7
Molecular Weight:
298.291 g/mol
Names and Synonyms:
Pentaerythritol Triacrylate
2-Propenoic acid, 1,1′-[2-(hydroxymethyl)-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester
Acrylic acid, triester with pentaerythritol
2-Propenoic acid, 2-(hydroxymethyl)-2-[[(1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester
Pentaerythritol, triacrylate
Pentaerythrityl triacrylate
Tetramethylolmethane triacrylate
SR 444
Setalux UV 2242
Aronix M 305
P 300 (acrylate)
P 300
NK Ester TMM 50T
Kayarad PET 30
PE 3A
Sartomer SR 444
Gafgard 233
SR 444C
Light Acrylate PE 3A
Light Ester PE 3A
PET 30
Sartomer 444
A-TMM 3OHV122
Newfrontier PET 3
Aronix M 30
Aronix M 306
A-TMMA
M 305
SR 444D
PETA
NK Ester A-TMN 3LM-N
AgiSyn 2884
Hipenny
Viscoat 300PETA
Pentaerythritol triacrylate
EM 235
Light Acrylate DPE 3A
SR 534
PET 3A
M 430
NK Ester A-TMM 3L new
M 340
M 306
PETRA
PETIA
PET 3
PE 003
Pentaerythrytol triacrylate
Aronix M 452
A-TMN 3LM-N
Etermer EM 235
Etermer 235
Miramer M 340
SR 444NS
2-((Acryloyloxy)methyl)-2-(hydroxymethyl)propane-1,3-diyl diacrylate
Identifiers:
SMILES:
C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C
InChI:
InChI=1S/C14H18O7/c1-4-11(16)19-8-14(7-15,9-20-12(17)5-2)10-21-13(18)6-3/h4-6,15H,1-3,7-10H2
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 | 298.29 g/mol | Legacy Database |
| cas-canonical-smile | O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C None | Legacy Database |
| cas-inchi | InChI=1S/C14H18O7/c1-4-11(16)19-8-14(7-15,9-20-12(17)5-2)10-21-13(18)6-3/h4-6,15H,1-3,7-10H2 None | Legacy Database |
| cas-inchi-key | InChIKey=HVVWZTWDBSEWIH-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Pentaerythritol triacrylate None | Legacy Database |
| LogP | 0.15269999999999984 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 298.291 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 298.105252916 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 21 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 7 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 10 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 99.13000000000002 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 72.98680000000003 | RDKit |
