Allyl pentaerythritol

Inquiry

Molecular Formula:

C8H16O4

Molecular Weight:

176.2102

CAS Number:

91648-24-7

Catalog Number:

91648-24-7

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

176.10485899 g/mol

Monoisotopic Mass

176.10485899 g/mol

Topological Polar Surface Area

69.9Å²

Heavy Atom Count

Formal Charge

Complexity

112

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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