Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Chloroatranol is a degradation product of chloroatranorin. It is identified as one of the main contact allergens in oakmoss absolute, a lichen extract widely utilized in the perfume industry.
Application:
Chloroatranol may be used as an analytical reference standard for the determination of the analyte in perfumes, and oakmoss absolute samples by various chromatography techniques.
| Sonrisas canónicas | CC1=CC(=C(C(=C1Cl)O)C=O)O |
|---|---|
| IUPAC Name | 3-chloro-2,6-dihydroxy-4-methylbenzaldehyde |
| InChIKey | IOTAGSGSURFFDS-UHFFFAOYSA-N |
| INCHI | 1S/C8H7ClO3/c1-4-2-6(11)5(3-10)8(12)7(4)9/h2-3,11-12H,1H3 |
| Isómeros SMILES | CC1=CC(=C(C(=C1Cl)O)C=O)O |
| CAS alternativo | 57074-21-2 |
| PubChem CID | 6426722 |
| Términos de entrada MeSH | chloroatranol |
| Peso molecular | 186.59 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Aldehydes - Aryl-aldehydes - Benzaldehydes |
| Direct Parent | Hydroxybenzaldehydes |
| Alternative Parents | Resorcinols P-chlorophenols O-chlorophenols Meta cresols Benzoyl derivatives Toluenes Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Hydroxybenzaldehyde - 4-halophenol - 2-halophenol - M-cresol - 2-chlorophenol - Benzoyl - 4-chlorophenol - Resorcinol - Halobenzene - Phenol - Chlorobenzene - Toluene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous acid - Organochloride - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. |
| External Descriptors | Not available |
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| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Mar 24, 2025 | C709845 | |
| Certificate of Analysis | Mar 24, 2025 | C709845 | |
| Certificate of Analysis | Mar 24, 2025 | C709845 | |
| Certificate of Analysis | Mar 24, 2025 | C709845 | |
| Certificate of Analysis | Mar 24, 2025 | C709845 |
| Peso molecular | 186.590 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 186.008 Da |
| Monoisotopic Mass | 186.008 Da |
| Topological Polar Surface Area | 57.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 174.000 |
| 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 |