Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhy… 26347-98-8

Name: Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
Brand: Vaqora Chemicals
SKU: VQ-027668

About Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate

Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate is a metabolite or degradation product of Butylhydroxytoluene carrying the CAS registry number 26347-98-8. Its molecular formula is C22H36O6 and its molecular weight is 396.5 g/mol. Its systematic (IUPAC) name is [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate. Alternative names: Agidol 110 and Agidol-110.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Handle it with standard laboratory precautions and appropriate personal protective equipment.

It is used in metabolite identification, stability-indicating method development and impurity profiling of Butylhydroxytoluene, as well as in QC testing and ANDA/DMF documentation. It is used across pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Metabolite identification
Stability-indicating methods
Impurity profiling
Fine chemical synthesis

Industries

Related to Butylhydroxytoluene

View every impurity, metabolite and intermediate we list for Butylhydroxytoluene.

Butylhydroxytoluene impurities

Specifications & identifiers

Chemical identifiers
Product name	Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
Catalogue No.	VQ-027668
CAS Number	26347-98-8
IUPAC name	[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Molecular formula	C₂₂H₃₆O₆
Molecular weight	396.5 g/mol
Exact mass	396.2512
Grade	Reference Standard
HSN code	38229090
InChIKey	RQYISMPLEFNMLU-UHFFFAOYSA-N
SMILES	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(CO)(CO)CO
PubChem CID	19784609

Physical properties
Physical form	Solid
LogP (XLogP3)	3.1
H-bond donors / acceptors	4 / 6
TPSA	107 Å²
Synonyms	3-Hydroxy-2,2-bis(hydroxymethyl)propyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate, Agidol 110, Agidol-110, Pentaerythritol mono(3,5-di-tert-butyl-4-hydroxyhydrocinnamate), [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate, 3-hydroxy-2,2-bis(hydroxymethyl)propyl3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate?

The CAS Registry Number of Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate is 26347-98-8. It is also known as 3-Hydroxy-2,2-bis(hydroxymethyl)propyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate, Agidol 110, Agidol-110.

What is the molecular formula and molecular weight of Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate?

Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate has the molecular formula C22H36O6 and a molecular weight of 396.5 g/mol. Its IUPAC name is [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

What is Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate used for?

Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate is supplied as a characterised reference material related to Butylhydroxytoluene. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate can I order?

We supply Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate?

Yes. Every lot of Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate be shipped internationally?

Yes. We export Pentaerythritol 3,5-di-tert-butyl-4-hydroxyhydrocinnamate worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.