Pyridoxal - ≥98% , CAS No.66-72-8

CAS: 66-72-8 Cat. No.: H693319 Molecular Weight: 167.16 EC Number: 200-630-8

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Pyridoxal - ≥98% CAS No(66-72-8) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde | 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde | Pyridoxal | Pyridoxaldehyde

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Citations of This Product References Solution Calculators Reviews

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Pyridoxal is a neuroprotectant. Pyridoxal is one of the main forms of vitamin B6. Pyridoxal is phosphorylated by pyridoxal kinase to pyridoxal phosphate . Pyridoxal is oxidized by the liver to 4-pyridoxic acid and excreted in the urine. Pyridoxal has shown promise in the study of carpal tunnel syndrome (CTS)

Specifications

Synonyms

3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde | 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde | Pyridoxal | Pyridoxaldehyde

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Canonical Smiles	CC1=NC=C(C(=C1O)C=O)CO
IUPAC Name	3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde
InChIKey	RADKZDMFGJYCBB-UHFFFAOYSA-N
INCHI	1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
Isomeric SMILES	CC1=NC=C(C(=C1O)C=O)CO
Alternate CAS	66-72-8,17281-92-4
MeSH Entry Terms	Pyridoxal
Molecular Weight	167.16

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridine carboxaldehydes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridine carboxaldehydes
Intermediate Tree Nodes	Not available
Direct Parent	Pyridoxals and derivatives
Alternative Parents	Methylpyridines Hydroxypyridines Aryl-aldehydes Vinylogous acids Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridoxal - Aryl-aldehyde - Hydroxypyridine - Methylpyridine - Vinylogous acid - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Aldehyde - Alcohol - Organic oxygen compound - Aromatic alcohol - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridoxals and derivatives. These are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2,3,4, and 5 by a methyl group, a hydroxyl group, a carbaldehyde group, and a hydroxymethyl group, respectively.
External Descriptors	a vitamin B6
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AOX1 Tchem Aldehyde oxidase (429 Activities)

Discover Target: AOX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PDXK Tbio Pyridoxal kinase (263 Activities)

Discover Target: PDXK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

Discover Target: HPGD

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
B2626103	Certificate of Analysis	Jul 25, 2025	H693319
H2508449	Certificate of Analysis	Jul 25, 2025	H693319
H2508450	Certificate of Analysis	Jul 25, 2025	H693319
H2508451	Certificate of Analysis	Jul 25, 2025	H693319

Chemical and Physical Properties

Sensitivity	air sensitive
Boil Point(°C)	412.8±40.0 °C at 760 mmHg
Melt Point(°C)	165 °C
Molecular Weight	167.160 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	167.058 Da
Monoisotopic Mass	167.058 Da
Topological Polar Surface Area	70.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	162.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Documents & Articles

Brief description of the functions and applications of vitamin B6 in biomedical research

Categories: Technical articles

Tags:

Vitamin B6 Neurotransmitter synthesis Lipids and sugar metabolism

Pyridine Research Selection Roadmap: Structural Features, Reaction Logic, and a Classification Navigator for Reagents/Building Blocks/Reference Standards (Tables 1–6)

Categories: Technical articles

Tags:

Pyridine ring Pyridine

Citations of This Product

How to Cite Aladdin Scientific Products? Citations Search

References

1. Xiao Zhang, Sihao Li, Heng Liu, Anurak Wongta, Zhenlin Xu, Kai Zhou, Surat Hongsibsong. (2025) Isolation and Characterizations of Histamine- and Tyramine-Producing Strains Isolated from Fermented Soybean Food: Soy Sauce and Soybean Paste. Foods, 14 (14): (2407). [PMID:40724227] [10.3390/foods14142407]

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