pyridoxal

Modify Date: 2026-07-01 16:04:25

pyridoxal structure	Common Name	pyridoxal
	CAS Number	66-72-8	Molecular Weight	167.16200
	Density	1.36 g/cm3	Boiling Point	412.8ºC at 760 mmHg
	Molecular Formula	C₈H₉NO₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Use of pyridoxal

Pyridoxal is one of the active forms of vitamin B6[1].

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	isopyridoxal
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description	Pyridoxal is one of the active forms of vitamin B6[1].
Related Catalog	Research Areas >> Cancer
Target	Human Endogenous Metabolite
References	[1]. Hayashi H. Pyridoxal enzymes: mechanistic diversity and uniformity[J]. The journal of biochemistry, 1995, 118(3): 463-473.

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.36 g/cm3
Boiling Point	412.8ºC at 760 mmHg
Molecular Formula	C₈H₉NO₃
Molecular Weight	167.16200
Exact Mass	167.05800
PSA	70.42000
LogP	0.40040
Index of Refraction	1.639
InChIKey	RADKZDMFGJYCBB-UHFFFAOYSA-N
SMILES	Cc1ncc(CO)c(C=O)c1O

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UV1200600

CHEMICAL NAME :: Pyridoxal

CAS REGISTRY NUMBER :: 66-72-8

BEILSTEIN REFERENCE NO. :: 0383768

LAST UPDATED :: 199709

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C8-H9-N-O3

MOLECULAR WEIGHT :: 167.18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 540 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - rigidity (including catalepsy) Behavioral - irritability

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 25,539,1970

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1120 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - rigidity (including catalepsy) Behavioral - irritability

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 25,539,1970

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 480 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - rigidity (including catalepsy) Behavioral - irritability

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 25,539,1970 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9714 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 522 (estimated) No. of Female Employees: 261 (estimated)

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 8
CAS#:58-56-0 Pyridoxine hydr... CAS#:65-23-6 Pyridoxine CAS#:64896-38-4 3-chloro-2-(((3... CAS#:7664-93-9 Sulfuric acid
CAS#:13933-84-1 N-(3-hydroxy-5-... CAS#:57212-58-5 Pyridoxylidenei... CAS#:13933-97-6 (S)-2-(((3-hydr... CAS#:7647-01-0 Hydrochloric acid
DownStream 10
CAS#:328-50-7 2-Ketoglutaric acid CAS#:7664-41-7 Ammonia CAS#:127-17-3 Pyruvic acid CAS#:7664-38-2 Phosphoric acid
CAS#:50-00-0 Formaldehyde CAS#:56-40-6 Glycine CAS#:302-72-7 DL-Alanine CAS#:82-82-6 4-Pyridoxic acid
CAS#:61-67-6 4-deoxypyridoxine CAS#:4811-03-4 2,5-Dimethyl-3-...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: Activity at human PKH kinase expressed in Escherichia coli by affinity chromatography
Source: ChEMBL
Target: Pyridoxal kinase
External Id: CHEMBL1116771

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837

Total 289, Current Page 1 of 29

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde

3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde

3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde

PYRIDOXALDEHYDE

2-Methyl-3-hydroxy-5-(hydroxymethyl)pyridine-4-carbaldehyde

Pyridoxal

3-(Hydroxymethyl)-5-hydroxy-6-methylpyridine-4-carbaldehyde

3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarbaldehyde

PYRIDOXALE

pyridoxal aldehyde

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the upstream materials of isopyridoxal?

A: Related upstream materials(CAS) of isopyridoxal: 58-56-0;65-23-6;64896-38-4;7664-93-9;13933-84-1;57212-58-5;13933-97-6;7647-01-0.

Q: What is the boiling point of isopyridoxal?

A: Boiling point of isopyridoxal is 412.8ºC at 760 mmHg.

Q: What is the molecular formula of isopyridoxal?

A: Molecular formula of isopyridoxal is C8H9NO3.

Q: What is the molecular weight of isopyridoxal?

A: Molecular weight of isopyridoxal is 167.16200.

Q: What English synonyms does isopyridoxal have?

A: English synonyms of isopyridoxal: 3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde, 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde, PYRIDOXALDEHYDE, 2-Methyl-3-hydroxy-5-(hydroxymethyl)pyridine-4-carbaldehyde, Pyridoxal, 3-(Hydroxymethyl)-5-hydroxy-6-methylpyridine-4-carbaldehyde, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarbaldehyde, PYRIDOXALE, pyridoxal aldehyde.

Q: What is the LogP of isopyridoxal?

A: LogP of isopyridoxal is 0.40040.

Q: What is the InChIKey of isopyridoxal?

A: InChIKey of isopyridoxal is RADKZDMFGJYCBB-UHFFFAOYSA-N.

Q: What is the SMILES notation of isopyridoxal?

A: SMILES notation of isopyridoxal is Cc1ncc(CO)c(C=O)c1O.

Q: What is the CAS number of isopyridoxal?

A: CAS number of isopyridoxal is 66-72-8.

Q: What is the polar surface area (PSA) of isopyridoxal?

A: Polar surface area (PSA) of isopyridoxal is 70.42000.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: pyridoxal
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

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Price: ￥1500/50 mg

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pyridoxal

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.