≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCCCCC(=O)OCC1=CN=C(C(=C1COC(=O)CCCCCCC)O)C |
|---|---|
| IUPAC Name | [5-hydroxy-6-methyl-4-(octanoyloxymethyl)pyridin-3-yl]methyl octanoate |
| InChIKey | PAUSGZCRNOTKPK-UHFFFAOYSA-N |
| INCHI | 1S/C24H39NO5/c1-4-6-8-10-12-14-22(26)29-17-20-16-25-19(3)24(28)21(20)18-30-23(27)15-13-11-9-7-5-2/h16,28H,4-15,17-18H2,1-3H3 |
| Isomeric SMILES | CCCCCCCC(=O)OCC1=CN=C(C(=C1COC(=O)CCCCCCC)O)C |
| PubChem CID | 83816 |
| Molecular Weight | 421.58 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyridoxines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridoxines |
| Alternative Parents | Methylpyridines Hydroxypyridines Fatty acid esters Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridoxine - Fatty acid ester - Hydroxypyridine - Methylpyridine - Dicarboxylic acid or derivatives - Fatty acyl - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridoxines. These are pyridoxal derivatives in which the carbaldehyde group at position 2 of the pyridoxal moiety is replaced by a hydroxymethyl group. |
| External Descriptors | Not available |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 72 °C |
| Molecular Weight | 421.600 g/mol |
| XLogP3 | 5.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 18 |
| Exact Mass | 421.283 Da |
| Monoisotopic Mass | 421.283 Da |
| Topological Polar Surface Area | 85.700 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 471.000 |
| 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 |
| 1. Maiping Yang, Chi Jiang, Weiqu Liu, Liyan Liang, Ke Pi. (2019) A less harmful system of preparing robust fabrics for integrated self-cleaning, oil-water separation and water purification. ENVIRONMENTAL POLLUTION, [PMID:31563772] [10.1016/j.envpol.2019.113277] |
| 2. Yang Maiping, Liu Weiqu, Jiang Chi, Xie Yankun, Shi Hongyi, Zhang Fengyuan. (2019) Facile fabrication of robust fluorine-free superhydrophobic cellulosic fabric for self-cleaning, photocatalysis and UV shielding. CELLULOSE, 26 (13): (8153-8164). [PMID:] [10.1007/s10570-019-02640-5] |
