Pentaerythritol monomethacrylate
Basic information
- CAS
80548-27-2- Standard SMILES
C=C(C)C(=O)OCC(CO)(CO)CO- InChIKey
APZPSKFMSWZPKL-UHFFFAOYSA-N- Molecular formula
- C9H16O5
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.09977361
Overview
structure in first source
Names & identifiers
- Preferred name
- Pentaerythritol monomethacrylate
- IUPAC
- [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-methylprop-2-enoate
- English name
- 3-hydroxy-2,2-bis(hydroxymethyl)propyl methacrylate
- Molecular formula
- C9H16O5
- Molecular weight
- 204.22
Names & synonyms
80548-27-23-Hydroxy-2,2-bis(hydroxymethyl)propyl methacrylatepentaerythritol monomethacrylateRefChem:928775279-493-1EINECS 279-493-1pentaerythritol methacrylateSCHEMBL15234APZPSKFMSWZPKL-UHFFFAOYSA-NDTXSID6010013103-HYDROXY-2,2-BIS(HYDROXYMETHYL)PROPYL 2-METHYLPROP-2-ENOATENS00060327
Show more names
Penthaerythritol methacrylateTetramethylolmethane methacrylateMethacrylic acid 3-hydroxy-2,2-bis(hydroxymethyl)propyl esterMethacrylic acid 2,2-bis(hydroxymethyl)-3-hydroxypropyl ester2-Propenoic acid, 2-methyl-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
Database identifiers
- CAS
80548-27-2- PubChem CID
- 10219877
- DTXSID
DTXSID601001310- EC Number
- 279-493-1
- Nikkaji
- J112.810H
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 392.8 · 392.8±42.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 13.49 · 13.49±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2-Propenoic acid, 2-methyl-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…