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Molecule
Pentaerythritol Tetraacrylate
CAS: 4986-89-4 · C17H20O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4986-89-4
- Molecular Formula
- C17H20O8
- Molecular Mass
- 352.34 g/mol
Identifiers
CAS Registry Number
4986-89-4
SMILES
C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
InChI Key
KNSXNCFKSZZHEA-UHFFFAOYSA-N
InChI
InChI=1S/C17H20O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h5-8H,1-4,9-12H2
Names and Synonyms
- Pentaerythritol Tetraacrylate Common Name
- 2-Propenoic acid, 1,1′-[2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester Synonym
- Acrylic acid, neopentanetetrayl ester Synonym
- 2-Propenoic acid, 2,2-bis[[(1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester Synonym
- Acrylic acid, tetraester with pentaerythritol Synonym
- Tetramethylolmethane tetraacrylate Synonym
- SR 295 Synonym
- NK Ester A-TMMT Synonym
- Sartomer 295 Synonym
- Light Acrylate PE 4A Synonym
- Pentaerythritol tetraacrylate Synonym
- M 450 Synonym
- Aronix M 450 Synonym
- A-TMMT Synonym
- Kayarad PET 40 Synonym
- Beam Set 710 Synonym
- Sartomer SR 295 Synonym
- NK Ester A-YMMT Synonym
- Kayarad A-TMMT Synonym
- BS 710 Synonym
- SR 295 (acrylate) Synonym
- Kayarad SR 295 Synonym
- Saret SR 295 Synonym
- Viscoat 400 Synonym
- Light Acrylate DPE 4A Synonym
- EM 241 Synonym
- Neomer EA 300 Synonym
- M 420 Synonym
- Miramer M 420 Synonym
- PET 4A Synonym
- Etermer EM 241 Synonym
- Ebecryl 180 Synonym
- Sartomer CD 295 Synonym
- CD 295 Synonym
- PETTA Synonym
- Pentaerythrytol tetraacrylate Synonym
- PETA 408263 Synonym
- SR 295NS Synonym
- Sarbio 5400 Synonym
- PE 4A Synonym
- [3-Prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate Synonym
- Aronix M 420 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 352.34 g/mol | CAS Common Chemistry |
| 352.33900000000017 g/mol | RDKit | |
| 352.339 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pentaerythritol_tetraacrylate | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C17H20O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h5-8H,1-4,9-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KNSXNCFKSZZHEA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pentaerythritol tetraacrylate | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.20000000000002 Ų | RDKit |
| 105.2 Ų | RDKit | |
| LogP | 0.8895999999999997 | RDKit |
| 0.8896 | RDKit | |
| Molar Refractivity | 87.05700000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2941 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 352.11581759999996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 352.34 g/mol. Edit any field — others recompute live.
