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Molecule
Pentaerythritol Triacrylate
CAS: 3524-68-3 · C14H18O7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3524-68-3
- Molecular Formula
- C14H18O7
- Molecular Mass
- 298.29 g/mol
Identifiers
CAS Registry Number
3524-68-3
SMILES
C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C
InChI Key
HVVWZTWDBSEWIH-UHFFFAOYSA-N
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
Names and Synonyms
- Pentaerythritol Triacrylate Synonym
- 2-Propenoic acid, 1,1′-[2-(hydroxymethyl)-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester Synonym
- Acrylic acid, triester with pentaerythritol Synonym
- 2-Propenoic acid, 2-(hydroxymethyl)-2-[[(1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester Synonym
- Pentaerythritol, triacrylate Synonym
- Pentaerythrityl triacrylate Synonym
- Tetramethylolmethane triacrylate Synonym
- SR 444 Synonym
- Setalux UV 2242 Synonym
- Aronix M 305 Synonym
- P 300 (acrylate) Synonym
- P 300 Synonym
- NK Ester TMM 50T Synonym
- Kayarad PET 30 Synonym
- PE 3A Synonym
- Sartomer SR 444 Synonym
- Gafgard 233 Synonym
- SR 444C Synonym
- Light Acrylate PE 3A Synonym
- Light Ester PE 3A Synonym
- PET 30 Synonym
- Sartomer 444 Synonym
- A-TMM 3OHV122 Synonym
- Newfrontier PET 3 Synonym
- Aronix M 30 Synonym
- Aronix M 306 Synonym
- A-TMMA Synonym
- M 305 Synonym
- SR 444D Synonym
- PETA Synonym
- NK Ester A-TMN 3LM-N Synonym
- AgiSyn 2884 Synonym
- Hipenny Synonym
- Viscoat 300PETA Synonym
- Pentaerythritol triacrylate Synonym
- EM 235 Synonym
- Light Acrylate DPE 3A Synonym
- SR 534 Synonym
- PET 3A Synonym
- M 430 Synonym
- NK Ester A-TMM 3L new Synonym
- M 340 Synonym
- M 306 Synonym
- PETRA Synonym
- PETIA Synonym
- PET 3 Synonym
- PE 003 Synonym
- Pentaerythrytol triacrylate Synonym
- Aronix M 452 Synonym
- A-TMN 3LM-N Synonym
- Etermer EM 235 Synonym
- Etermer 235 Synonym
- Miramer M 340 Synonym
- SR 444NS Synonym
- 2-((Acryloyloxy)methyl)-2-(hydroxymethyl)propane-1,3-diyl diacrylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 298.29 g/mol | CAS Common Chemistry |
| 298.291 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=HVVWZTWDBSEWIH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pentaerythritol triacrylate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 99.13000000000002 Ų | RDKit |
| 99.13 Ų | RDKit | |
| LogP | 0.15269999999999984 | RDKit |
| 0.1527 | RDKit | |
| Molar Refractivity | 72.98680000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3571 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 298.105252916 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 298.29 g/mol. Edit any field — others recompute live.
