3-Hydroxy-2,2-bis(hydroxymethyl)propyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

Name: 3-Hydroxy-2,2-bis(hydroxymethyl)propyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
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CAS No. 26347-98-8
Cat. No. CS-0516966
Purity≥95%
MDL No.None

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3-Hydroxy-2,2-bis(hydroxymethyl)propyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate|CS-0516966

Structure of 26347-98-8

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General Information

CAS No. 26347-98-8
Cat. No. CS-0516966
Purity ≥95%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₂H₃₆O₆
Molecular Weight 396.52
Synonym(s) Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
SMILES O=C(OCC(CO)(CO)CO)CCC1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1

Description

This antioxidant ester features a sterically shielded phenolic moiety flanked by bulky tert-butyl groups, enhancing radical-scavenging stability. The hydroxymethylated backbone ensures solubility in organic media and facilitates integration into polymer matrices. Designed for long-term oxidative protection in high-performance materials.

Application

3-Hydroxy-2,2-bis(hydroxymethyl)propyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate serves as a stable, bench-ready phenolic antioxidant precursor. Its tertiary butyl groups confer enhanced steric protection, while the hydroxymethyl and ester functionalities enable sequential functionalization in synthetic sequences. The molecule facilitates efficient incorporation of hindered phenol moieties into polymers or active pharmaceutical intermediates, with high tolerance for diverse reaction conditions and straightforward purification via standard chromatographic methods.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 107.22
LogP 2.4263
H_Acceptors 6
H_Donors 4
Rotatable_Bonds 8

Other Classifications

Building Blocks Functional Group Phenol

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Hydroxy-2,2-bis(hydroxymethyl)propyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

CAS No. 26347-98-8

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