CAS 82-82-6|4-Pyridoxic acid

Introduction：Basic information about CAS 82-82-6|4-Pyridoxic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 4-Pyridoxic acid BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles43
8. Synonyms

Common Name	4-Pyridoxic acid
CAS Number	82-82-6	Molecular Weight	183.16100
Density	1.48g/cm3	Boiling Point	584.5ºC at 760 mmHg
Molecular Formula	C₈H₉NO₄	Melting Point	258-261ºC (dec.)(lit.)
MSDS	ChineseUSA	Flash Point	307.3ºC
Symbol	GHS07	Signal Word	Warning

Names

Name	4-pyridoxic acid
Synonym	More Synonyms

4-Pyridoxic acid BiologicalActivity

Description	4-Pyridoxic acid is a catabolic product of vitamin B6 which is excreted in the urine.
Related Catalog	Natural Products >>Acids and AldehydesResearch Areas >>Others
Target	Human Endogenous Metabolite
References	[1]. Sharma SK, et al. Determination of vitamin B6 vitamers and pyridoxic acid in biological samples. J Chromatogr. 1992 Jul 1;578(1):45-51.

Chemical & Physical Properties

Density	1.48g/cm3
Boiling Point	584.5ºC at 760 mmHg
Melting Point	258-261ºC (dec.)(lit.)
Molecular Formula	C₈H₉NO₄
Molecular Weight	183.16100
Flash Point	307.3ºC
Exact Mass	183.05300
PSA	90.65000
LogP	0.28610
Index of Refraction	1.637
InChIKey	HXACOUQIXZGNBF-UHFFFAOYSA-N
SMILES	Cc1ncc(CO)c(C(=O)O)c1O
Storage condition	-20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NS1800000

CHEMICAL NAME :: Isonicotinic acid, 3-hydroxy-5-(hydroxymethyl)-2-methyl-

CAS REGISTRY NUMBER :: 82-82-6

BEILSTEIN REFERENCE NO. :: 0384006

LAST UPDATED :: 199612

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C8-H9-N-O4

MOLECULAR WEIGHT :: 183.18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7500 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5400 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2050 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2900 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2500 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi: Irritant;
Risk Phrases	36/37/38
Safety Phrases	26-36
RIDADR	NONH for all modes of transport
RTECS	NS1800000
HS Code	2933399090

Customs

HS Code	2933399090
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles43

Automated screening of urine samples for carbohydrates, organic and amino acids after treatment with urease.

J. Chromatogr. A. 562(1-2) , 125-38, (1991)

Eighty-five clinical urine samples and nineteen urine samples previously found by other laboratories to suggest genetic metabolic defects were prepared for trimethylsilylation by treatment with urease...

Clinical analysis of vitamin B(6): determination of pyridoxal 5'-phosphate and 4-pyridoxic acid in human serum by reversed-phase high-performance liquid chromatography with chlorite postcolumn derivatization.

Anal. Biochem. 333(2) , 336-44, (2004)

A reversed-phase high-performance liquid chromatography (HPLC) method with fluorometric detection was developed for the routine determination of pyridoxal 5'-phosphate (PLP) and 4-pyridoxic acid (4-PA...

Whole Grain Consumption Increases Gastrointestinal Content of Sulfate-Conjugated Oxylipins in Pigs - A Multicompartmental Metabolomics Study.

J. Proteome Res. 14 , 3095-110, (2015)

The effects of increased intake of dietary fiber as either whole grain rye or as resistant starch compared to a typical low dietary fiber Western-style diet on the metabolomics responses were studied ...

Synonyms

4-pyridoxinecarboxylicacid

4-Pyridoxicacidcrystalline

3-Hydroxy-5-hydroxymethyl-2-methyl-isonicotinsaeure

3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridine-carboxylic acid

4-pyridoxylicacid

EINECS 201-440-8

4-pyridoxinicacid

4-pyridoxinsaeure

3-hydroxy-5-hydroxymethyl-2-methyl-isonicotinic acid

4-Pyridoxic

Pyridoxic Acid

3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid

4-PYRIDOXIC ACID

3-hydroxy-2-methyl-5-methylol-isonicotinic acid

MFCD00006334

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