Allyl pentaerythritol
Product Information
Molecular Formula
C8H16O4
Molecular Weight
176.2102
Description
Allyl pentaerythritol is an intriguing compound with multifaceted applications within the realm of biomedicine due to its prospective role as a viable pharmaceutical contender. By virtue of its formidable anti-inflammatory attributes and exceptional antioxidative capabilities, allyl pentaerythritol has garnered considerable scientific interest as a potential therapeutic agent for an assortment of ailments spanning from cancer and cardiovascular maladies to neurodegenerative afflictions.
Synonyms
1,3-Propanediol, 2,2-bis(hydroxymethyl)-, allyl ether; PENTAERYTHRITOL TRIALLYL ETHER, TECH., 7 0%; Allyl pentaerythritol; pentaerythritol allyl ether; 2,2-Bis(hydroxymethyl)-1,3-propanediol allyl ether; 2,2-Bis-(hydroxymethyl)-1,3-propanediol allyl ester
IUPAC Name
2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol
SMILES
C=CCOCC(CO)(CO)CO
InChI
InChI=1S/C8H16O4/c1-2-3-12-7-8(4-9,5-10)6-11/h2,9-11H,1,3-7H2
InChI Key
RFIMISVNSAUMBU-UHFFFAOYSA-N
Boiling Point
100 °C/0.1 mmHg (lit.)
Flash Point
235.4 °CF - closed cup
Purity
0.7
Density
1.139 g/cm3
Refractive Index
n20/D 1.465 (lit.)
Safety Information
Hazards
H412
Precautionary Statement
P273 - P501
Computed Properties
XLogP3
-1.2
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
7
Exact Mass
176.10485899 g/mol
Monoisotopic Mass
176.10485899 g/mol
Topological Polar Surface Area
69.9Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
112
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113896825-A | Acrylic acid thickening agent with high bulk density as well as preparation method and application thereof | 2021-11-02 |
| CN-112043661-A | Whitening aloe gel and preparation method thereof | 2020-10-22 |
| CN-112409876-A | Environment-friendly self-cleaning coating and preparation method thereof | 2020-10-19 |
| CN-112022838-A | Antifungal medicine composition, preparation method thereof and film-forming gel | 2020-09-17 |
| DE-102020124036-A1 | Stabilizer system containing sulfide for thiol-ene and thiol-yne compositions | 2020-09-15 |
| US-2022073766-A1 | Method for repairing surface defect with a fast curing patch | 2020-09-09 |
| WO-2022055832-A1 | Method for repairing surface defect with a fast curing patch | 2020-09-09 |
| WO-2022055913-A1 | Flame resistant body fill composition | 2020-09-09 |
| US-2022073764-A1 | Ultra-fast uv-cured material for repairing surface imperfections | 2020-09-08 |
| WO-2022055914-A1 | Ultra-fast uv-cured material for repairing surface imperfections | 2020-09-08 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 15072799 | 2004-04-15 | Glass transitions and viscoelastic properties of carbopol and noveon compacts | International journal of pharmaceutics |
